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Hi All,
I am trying to wannierize a wave function for Black Phosporene generated using quantum espresso as stated in :
This is my wannier input file
num_wann = 4
num_bands = 65
dis_num_iter = 400
num_iter = 100
guiding_centres =.true.
dis_win_min =0
dis_win_max =21
!dis_froz_min =0
dis_froz_max =8
begin atoms_frac
P 0.000000 1.999871 1.256290
P 0.499999 1.999871 0.811825
P 0.000000 1.364018 0.122453
P 0.499999 1.364018 0.566918
end atoms_frac
begin projections
P:sp3
end projections
begin unit_cell_cart
bohr
03.29549 00.00000 00.00000
00.00000 10.93010 00.00000
00.00000 00.00000 04.54364
end_unit_cell_cart
bands_plot = .true.
begin kpoint_path
G 0.000000 0.00000 0.00000 X 0.500000 0.00000 0.00000
X 0.500000 0.00000 0.00000 Y 0.000000 0.50000 0.00000
Y 0.000000 0.50000 0.00000 Z 0.000000 0.00000 0.50000
Z 0.000000 0.00000 0.50000 G 0.000000 0.00000 0.00000
end kpoint_path
mp_grid : 8 8 1
search_shells = 65
begin kpoints
0.000000000000000 0.000000000000000 0.000000000000000 0.0156250000
0.000000000000000 0.125000000000000 0.000000000000000 0.0156250000
0.000000000000000 0.249999999999999 0.000000000000000 0.0156250000
0.000000000000000 0.374999999999999 0.000000000000000 0.0156250000
0.000000000000000 -0.499999999999999 0.000000000000000 0.0156250000
-0.000000000000000 -0.374999999999999 -0.000000000000000 0.0156250000
-0.000000000000000 -0.249999999999999 -0.000000000000000 0.0156250000
-0.000000000000000 -0.125000000000000 -0.000000000000000 0.0156250000
0.125000000000000 0.000000000000000 0.000000000000000 0.0156250000
0.125000000000000 0.125000000000000 0.000000000000000 0.0156250000
0.125000000000000 0.249999999999999 0.000000000000000 0.0156250000
0.125000000000000 0.374999999999999 0.000000000000000 0.0156250000
0.125000000000000 -0.499999999999999 0.000000000000000 0.0156250000
0.125000000000000 -0.374999999999999 0.000000000000000 0.0156250000
0.125000000000000 -0.249999999999999 0.000000000000000 0.0156250000
0.125000000000000 -0.125000000000000 0.000000000000000 0.0156250000
0.249999999999999 0.000000000000000 0.000000000000000 0.0156250000
0.249999999999999 0.125000000000000 0.000000000000000 0.0156250000
0.249999999999999 0.249999999999999 0.000000000000000 0.0156250000
0.249999999999999 0.374999999999999 0.000000000000000 0.0156250000
0.249999999999999 -0.499999999999999 0.000000000000000 0.0156250000
0.249999999999999 -0.374999999999999 0.000000000000000 0.0156250000
0.249999999999999 -0.249999999999999 0.000000000000000 0.0156250000
0.249999999999999 -0.125000000000000 0.000000000000000 0.0156250000
0.374999999999999 0.000000000000000 0.000000000000000 0.0156250000
0.374999999999999 0.125000000000000 0.000000000000000 0.0156250000
0.374999999999999 0.249999999999999 0.000000000000000 0.0156250000
0.374999999999999 0.374999999999999 0.000000000000000 0.0156250000
0.374999999999999 -0.499999999999999 0.000000000000000 0.0156250000
0.374999999999999 -0.374999999999999 0.000000000000000 0.0156250000
0.374999999999999 -0.249999999999999 0.000000000000000 0.0156250000
0.374999999999999 -0.125000000000000 0.000000000000000 0.0156250000
-0.499999999999998 0.000000000000000 0.000000000000000 0.0156250000
-0.499999999999998 0.125000000000000 0.000000000000000 0.0156250000
-0.499999999999998 0.249999999999999 0.000000000000000 0.0156250000
-0.499999999999998 0.374999999999999 0.000000000000000 0.0156250000
-0.499999999999998 -0.499999999999999 0.000000000000000 0.0156250000
0.499999999999998 -0.374999999999999 0.000000000000000 0.0156250000
0.499999999999998 -0.249999999999999 0.000000000000000 0.0156250000
0.499999999999998 -0.125000000000000 0.000000000000000 0.0156250000
-0.374999999999999 -0.000000000000000 -0.000000000000000 0.0156250000
-0.374999999999999 0.125000000000000 0.000000000000000 0.0156250000
-0.374999999999999 0.249999999999999 0.000000000000000 0.0156250000
-0.374999999999999 0.374999999999999 0.000000000000000 0.0156250000
-0.374999999999999 0.499999999999999 0.000000000000000 0.0156250000
-0.374999999999999 -0.374999999999999 -0.000000000000000 0.0156250000
-0.374999999999999 -0.249999999999999 -0.000000000000000 0.0156250000
-0.374999999999999 -0.125000000000000 -0.000000000000000 0.0156250000
-0.249999999999999 -0.000000000000000 -0.000000000000000 0.0156250000
-0.249999999999999 0.125000000000000 0.000000000000000 0.0156250000
-0.249999999999999 0.249999999999999 0.000000000000000 0.0156250000
-0.249999999999999 0.374999999999999 0.000000000000000 0.0156250000
-0.249999999999999 0.499999999999999 0.000000000000000 0.0156250000
-0.249999999999999 -0.374999999999999 -0.000000000000000 0.0156250000
-0.249999999999999 -0.249999999999999 -0.000000000000000 0.0156250000
-0.249999999999999 -0.125000000000000 -0.000000000000000 0.0156250000
-0.125000000000000 -0.000000000000000 -0.000000000000000 0.0156250000
-0.125000000000000 0.125000000000000 0.000000000000000 0.0156250000
-0.125000000000000 0.249999999999999 0.000000000000000 0.0156250000
-0.125000000000000 0.374999999999999 0.000000000000000 0.0156250000
-0.125000000000000 0.499999999999999 0.000000000000000 0.0156250000
-0.125000000000000 -0.374999999999999 -0.000000000000000 0.0156250000
-0.125000000000000 -0.249999999999999 -0.000000000000000 0.0156250000
-0.125000000000000 -0.125000000000000 -0.000000000000000 0.0156250000
end kpoints
But I am getting following error when executing wannier90.x -pp pwscf:
Running in serial (with serial executable)
------
SYSTEM
------
Lattice Vectors (Ang)
a_1 1.743898 0.000000 0.000000
a_2 0.000000 5.783960 0.000000
a_3 0.000000 0.000000 2.404391
Unit Cell Volume: 24.25222 (Ang^3)
Reciprocal-Space Vectors (Ang^-1)
b_1 3.602954 0.000000 0.000000
b_2 0.000000 1.086312 0.000000
b_3 0.000000 0.000000 2.613213
*----------------------------------------------------------------------------*
| Site Fractional Coordinate Cartesian Coordinate (Ang) |
+----------------------------------------------------------------------------+
| P 1 0.00000 1.99987 1.25629 | 0.00000 11.56717 3.02061 |
| P 2 0.50000 1.99987 0.81183 | 0.87195 11.56717 1.95194 |
| P 3 0.00000 1.36402 0.12245 | 0.00000 7.88943 0.29442 |
| P 4 0.50000 1.36402 0.56692 | 0.87195 7.88943 1.36309 |
*----------------------------------------------------------------------------*
------------
K-POINT GRID
------------
Grid size = 8 x 8 x 1 Total points = 64
*---------------------------------- MAIN ------------------------------------*
| Number of Wannier Functions : 4 |
| Number of Objective Wannier Functions : 4 |
| Number of input Bloch states : 65 |
| Output verbosity (1=low, 5=high) : 1 |
| Timing Level (1=low, 5=high) : 1 |
| Optimisation (0=memory, 3=speed) : 3 |
| Length Unit : Ang |
| Post-processing setup (write *.nnkp) : T |
| Using Gamma-only branch of algorithms : F |
*----------------------------------------------------------------------------*
*------------------------------- WANNIERISE ---------------------------------*
| Total number of iterations : 100 |
| Number of CG steps before reset : 5 |
| Trial step length for line search : 2.000 |
| Convergence tolerence : 0.100E-09 |
| Convergence window : -1 |
| Iterations between writing output : 1 |
| Iterations between backing up to disk : 100 |
| Write r^2_nm to file : F |
| Write xyz WF centres to file : F |
| Write on-site energies <0n|H|0n> to file : F |
| Use guiding centre to control phases : T |
| Use phases for initial projections : F |
| Iterations before starting guiding centres: 0 |
| Iterations between using guiding centres : 1 |
*----------------------------------------------------------------------------*
*------------------------------- DISENTANGLE --------------------------------*
| Using band disentanglement : T |
| Total number of iterations : 400 |
| Mixing ratio : 0.500 |
| Convergence tolerence : 1.000E-10 |
| Convergence window : 3 |
*----------------------------------------------------------------------------*
*-------------------------------- PLOTTING ----------------------------------*
| Plotting interpolated bandstructure : T |
| Number of K-path sections : 4 |
| Divisions along first K-path section : 100 |
| Output format : gnuplot |
| Output mode : s-k |
*----------------------------------------------------------------------------*
| K-space path sections: |
| From: G 0.000 0.000 0.000 To: X 0.500 0.000 0.000 |
| From: X 0.500 0.000 0.000 To: Y 0.000 0.500 0.000 |
| From: Y 0.000 0.500 0.000 To: Z 0.000 0.000 0.500 |
| From: Z 0.000 0.000 0.500 To: G 0.000 0.000 0.000 |
*----------------------------------------------------------------------------*
Time to read parameters 0.011 (sec)
*---------------------------------- K-MESH ----------------------------------*
+----------------------------------------------------------------------------+
| Distance to Nearest-Neighbour Shells |
| ------------------------------------ |
| Shell Distance (Ang^-1) Multiplicity |
| ----- ----------------- ------------ |
| 1 0.135789 2 |
| 2 0.271578 2 |
| 3 0.407367 2 |
| 4 0.450369 2 |
| 5 0.470395 4 |
| 6 0.525915 4 |
| 7 0.543156 2 |
| 8 0.607273 4 |
| 9 0.678945 2 |
| 10 0.705586 4 |
| 11 0.814734 2 |
| 12 0.814739 4 |
| 13 0.900739 2 |
| 14 0.910916 4 |
| 15 0.930926 4 |
| 16 0.940789 4 |
| 17 0.950523 2 |
| 18 0.988574 4 |
| 19 1.051821 4 |
| 20 1.051831 4 |
| 21 1.086312 2 |
| 22 1.127961 4 |
| 23 1.175970 4 |
| 24 1.214546 4 |
| 25 1.222101 2 |
| 26 1.302445 4 |
| 27 1.309513 4 |
| 28 1.351108 2 |
| 29 1.357890 2 |
| 30 1.357914 4 |
| 31 1.378132 4 |
| 32 1.411171 4 |
| 33 1.411184 4 |
| 34 1.430629 4 |
| 35 1.456197 4 |
| 36 1.493679 2 |
| 37 1.512104 4 |
| 38 1.518177 4 |
| 39 1.560099 4 |
| 40 1.577746 4 |
| 41 1.629468 2 |
| 42 1.629477 4 |
| 43 1.651964 4 |
| 44 1.690562 4 |
| 45 1.733657 4 |
| 46 1.744250 4 |
| 47 1.765257 2 |
| 48 1.801477 2 |
| 49 1.806587 4 |
| 50 1.821803 4 |
| 51 1.821819 4 |
| 52 1.821833 4 |
| 53 1.846962 4 |
| 54 1.861853 4 |
| 55 1.881579 4 |
| 56 1.901046 2 |
| 57 1.915557 4 |
| 58 1.925172 4 |
| 59 1.953665 4 |
| 60 1.977147 4 |
| 61 1.981783 4 |
| 62 2.014093 4 |
| 63 2.036835 2 |
| 64 2.036864 4 |
| 65 2.086032 4 |
+----------------------------------------------------------------------------+
| The b-vectors are chosen automatically |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
Unable to satisfy B1 with any of the first 65 shells
Your cell might be very long, or you may have an irregular MP grid
Try increasing the parameter search_shells in the win file (default=12)
Exiting.......
kmesh_get_automatic
Can anyone help in this regard.
With Thanks,
Shreevathsa N S
I have two monthly rasters (LST landsat 8) for the months July and August. I want to create another raster for the month June.
How should I proceed? I was thinking to take the mean but it doesn't make so much sense because June is the first month of my analysis and the LST should be lower compared to July and August.
R 4.4.1, RStudio , Windows 11.
Please no ChatGPT answers without knowing if its response is correct or not.
The paper in question is "Interpolation of Nitrogen Fertilizer Use in Canada from Fertilizer Use Surveys". This paper was very recently published by Agronomy (MDPI). Agronomy has, in the last day or so, uploaded a new file for this paper that has several critical typos corrected. But the ResearchGate link still has the uncorrected version of this file. The agronomy doi link to this corrected copy is
Thank you - James Dyer, Senior Author
I used two standards (one came with the ELISA kit and the other I made myself, by preparing a series of known concentrations of the target analyte) on the same plate in my ELISA run. Why are the interpolated concentrations for my unknown samples different between the two standards?
I have a question that I would like to share to get some feedback.
In spectral methods, increasing the degree of a polynomial for a fixed element results in obtaining more points (for example, with a shape function of degree 2, we can accurately determine 3 points, and by increasing the degree, we can determine even more points, such as 20). However, we cannot infer information about the space between two points directly because, in Euclidean space, only a single straight line passes between two points. To gain information between points, we need to increase the number of elements or the degree of the shape function.
My question is: why don't we solve this problem in Riemannian space? Unlike Euclidean space, Riemannian space allows for curvature, meaning we do not have to rely on straight lines between two points. With this idea, we can obtain information between two points using lower-degree polynomials derived from Riemannian space.
My hypothesis is that the basis function created from Riemannian space inherently provides this feature, just as the basis function in Euclidean space inherently provides information between two points.
This is an idea that has come to my mind, and I would like to know your thoughts on how valid this idea might be.
I am working with temperature, precipitation data (0.1 degree from CDS store) and population density data (2.5 min from SEDAC) and often have to change the resolution of either data to achieve a common resolution. I do this using cdo but often get confused on which interpolation method would be more appropriate or give accurate results for a particular variable. And does the choice of method also depends on whether we are interpolating from coarser to finer grid or vice-versa? What method should be used for population data? Can you guide me on this or provide some good references?
I am interested to calculate the peierls barrier for the movement of screw dislocation in BCC iron between two peierls vally. For this I am using nudged elastic band (NEB) method in LAMMPS.
We developed initial and final replicas using ATOMSK. However we have to create intermediate replicas having Kinks (between initial and final position) using linear interpolation.
Is there any mathematical relation for generating such replicas or any software that can be used for the same purpose.
Please leave your comments.
Thanks
Hi, I have attached a sample file. It is the rainfall gridded data from India Meteorological Department (IMD). As you can see that there is missing data between the data (color) and the white line (which is the borderline/shoreline adjoining the sea and land). One of my study areas fall onto this missing area but no data.
Does anyone of you know how to interpolate it using the nearest 4 neighbors to generate the data over that missing area using CDO or GrADS?
Would appreciate your help and advice !!
I have found some methods like clipping and interpolation or hampel filter ...
Is there any other efficient or better methods?
Dear all,
I am going to derive the precipitation data from NETCDF files of CMIP5 GCMs in order to forecast precipitation after doing Bias Correction with Quantile Mapping as a downscaling method. In the literature that some of the bests are attached, the nearest neighborhood and Inverse Distance Method are highly recommended.
The nearest neighbour give the average value of the grid to each point located in the grid as a simple method. According to the attached paper (drought-assessment-based-on-m...) the author claimed that the NN method is better than other methods such as IDM because:
"The major reason is that we intended to preserve the
original climate signal of the GCMs even though the large grid spacing.
Involving more GCM grid cell data on the interpolation procedure
(as in Inverse Distance Weighting–IDW) may result to significant
information dilution, or signal cancellation between two or more grid
cell data from GCM outputs."
But in my opinion maybe the IDM is a better choice because I think as the estimates of subgrid-scale values are generally not provided and the other attached paper (1-s2.0-S00221...) is a good instance for its efficiency.
I would appreciate if someone can answer this question with an evidence. Which interpolation method do you recommend for interpolation of GCM cmip5 outputs?
Thank you in advance.
Yours,
Hi,
I’m using udf to define a praticle surface reaction. The dpm_scalar_update marco is used to get the data of species mass fraction of the praticle surface reaction. No errors occur while loading the udfs. However, this error called (Variable (sv: 742, pick: species, dim: 14) cannot be interpolated. Not allocated) occurs when the dpm iterate. And the iteration stil goes on...
If anyone tell me what cause this error, it would be much appreciated.
GIS tools are great for interpolating small-scale data, but when you want to interpolate data for the entire surface of a planet, it's problematic. The problem arises because the interpolation is done in -/+ 180 longitude and -/+ 90 latitude in terms of planar coordinates, even though the data are adjacent at the extremities. A further problem is that the distance between data points in this case can only be calculated using spherical geometry, which is not usually implemented in interpolation algorithms. In such a case, one has to write code, but I wonder what other people's experience is? Is there a program that handles this problem natively?
Explore the influence of interpolation techniques on animation smoothness and realism in computer graphics. Seeking insights from experts in the field.
I need your helpe PLEASE!
For my research paper, and In order to develop my dataset, i fielded the missing observation with interpolation/extrapolation method. And I need to ensure the quality and behavior of data before starting my analysis. Could you kindly provide more details on the specific steps and methodologies to be employed to ensure the meaningfulness and verifiability of the results, I am particularly interested in understanding:
- The quality assurance measures taken before and after applying interpolation/extrapolation techniques.
-Is there a trend approach to be adopted to reflect developments within the periods for the missing data?
- and if there are any diagnostic tests to be conducted to validate the reliability of the fielded data.
Thank you in advance for your time and consideration.
In B-spline interpolation, how control points and knot vector influences on trajectory optimization for robot path planning?
Hello everyone, I encountered a problem when using SBDART to calculate the thermal radiation effect of dust aerosol of different heights. If use the aerosol.dat to input the aerosol profile. Do you have a sample file of the file and how to calculate the pmom and moma? If you do not enter a custom file, you can set zbaer and dbaer, but it will automatically interpolate. The trend is always down. How did you enter the real aerosol profile? Thank you
hello
I wane to interpolate temperature in an alpine region (valle d aosta ) , i want to know how i can obtain better results ?i have data of 87 meteorological stations that distributed in an area of about 3000 km2 and also 8 statins in a smaller area in this region , as the region has a complex topography, I chose to do kriging with external drift to consider elevation as a co-variable , in this case which are should be used?the smaller about 500 km2 with 8 stations or the whole area ?(87 stations and 3000km2)
thanks
Dear all,
I am pretty new to Quantum Espresso and Wannier90. After finding out the bandstructure of my system using QE, I am trying to find out the wannier interpolated band structure, but these two band structures show a significant discrepancy. I have tried changing the projection and disentanglement window, but I am not getting a better result. The input files and bandstructure plots can be found here https://drive.google.com/drive/folders/1kxI7TZ4UD4x3TlCX8vT-J2WVLzm0nBTX?usp=sharing . It might be a minor solution for the experts. Hoping to get a positive response. Thank You.
Dear Scholars,
Assume a mobile air pollution monitoring strategy using a network of sensors that move around the city, specifically a network of sensors that quantify PM2.5 at a height of 1.5 meters that lasts about 20 minutes. Clearly, using this strategy we would lose temporal resolution to gain spatial resolution.
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Regards
I am using a python script to run Agisoft Metashape on Jetson TX2. It takes a lot of time when there are more images involved in the creation of the model. I want to increase the speed of the operation by running those on CUDA. Can someone please help me with this?
import os
import Metashape
doc = Metashape.app.document
print("Srcipt started")
doc = Metashape.app.document
chunk = doc.addChunk()
chunk.label = "New Chunk"
path_photos = Metashape.app.getExistingDirectory("main folder:")
# image_list = os.listdir(path_photos)
# photo_list = list()
sub_folders = os.listdir(path_photos)
for folder in sub_folders:
folder = os.path.join(path_photos, folder)
if not os.path.isdir(folder):
continue
image_list = os.listdir(folder)
photo_list = list()
new_group = chunk.addCameraGroup()
new_group.label = os.path.basename(folder)
for photo in image_list:
if photo.rsplit(".", 1)[1].lower() in ["jpg", "jpeg", "tif", "tiff"]:
# photo_list.append("/".join([path_photos, photo]))
photo_list.append(os.path.join(folder, photo))
chunk.addPhotos(photo_list)
for camera in chunk.cameras:
if not camera.group:
camera.group = new_group
print("- Photos ajoutées")
doc.chunk = chunk
Metashape.app.update()
# Processing:
chunk.matchPhotos(downscale=1, generic_preselection=True, reference_preselection=False)
chunk.alignCameras()
chunk.buildDepthMaps(downscale=4)
chunk.buildDenseCloud()
chunk.buildModel(surface_type=Metashape.Arbitrary, interpolation=Metashape.EnabledInterpolation)
chunk.buildUV()
chunk.buildTexture(texture_size=4096)
doc.save()
# chunk.buildTexture(mapping = 'generic', blending = 'mosaic', size = 2048, count=1, frames =
list(range(frames)))
print("Script finished")
My sister is an architect and needs to use linear interpolation in the following situation:
The NCC states the maximum ramp length for a 1:14 ramp is 9 meters and a 1:20 ramp is 15 meters before you need a landing. The NCC states to calculate the maximum length of a ramp in between these gradients is to use linear interpolation.
She wants to specify a ramp of a 1:16.6 gradient and needs to calculate the maximum ramp length before needing a landing using the two values provided above. She is not confident her calculations are correct - she found the formula below but struggled to use it. So instead, she found this website - https://www.easycalculation.com/analytical/linear-interpolation.php. The solution that website provided was 11.6 meters. Can anyone confirm that this is correct and/or explain how to correctly calculate the linear interpolation for this example using the formula? Thanks in advance.
Linear interpolation = y1 + (x - x1)*(y2-y1)/(x2-x1)
Dear all,
I have land use shapefile (different classes) and PM 2.5 value (stored in station point shapefile). I would like to analyze the relationship between type of land use and PM 2.5 level. If I interpolate PM 2.5 level to raster file, Is there any tools in Arcmap that can run regression analysis between land use types and PM 2.5 level? Thank you
Hi everyone,
I am trying to navigate the literature of how to process pupil data and have some questions about what to do with blinks. We are using SR Research EyeLink 1000 Plus with headrest. We are not utilizing any gaze positioning just looking at pupil size change during a cognitive task. We have a baseline of 250ms (-250ms to 0ms) and then stimulus presentation then 2000ms interest period (sampling at 1000Hz).
Since it is measured in arbitrary units we are doing a baseline correction to normalize the data to the baseline for each trial.
There seems to be mixed literature on interpolating blinks. Do it, not do it? Linear interpolation, cubic spline interpolation, etc.
I am a bit confused on:
1. Do we interpolate blinks during the baseline period?
2. How do we do time series data and normalize to baseline if there is fall out from blinks?
3. For the interpolation during each trial, which method is best?
When doing a cubic spline interpolation using R and it worked well for the dilation of the eye, but the same interpolation ran on the baseline of that trial did not look right.
No smoothing or filtering has yet been applied to this data
That is, if I have data every hour, I need to obtain that same data but every 10 minutes.
In Rstudio, please.
I want everything related to the role of Interpol in combating cyber terrorism?
I have n=61 and t=25, and I have performed linear interpolation for missing values. Could it be the reason for insignificant GMM results? Please help.
I did some thermal maps of the Girona’s atmospheric urban heat island with a method of car's mobile transect. I use the software Surfer 6.0 to do the maps, but Surfer isn’t a Geographical Information System, I think this is a throuble. Also in my transects there is a very high spatial density of observation points in the downtown of the city of Girona (15/km2) and a low density in rural areas (2/km2). I always interpolate isotherms with the kriging method. What is the best method to interpolate temperatures (Kriging, IDW, etc.) in my area of interest, Girona and it environs? Can you give me bibliographic citations?
Hope you all are doing well!!
I am wondering if anyone can suggest how to use the If statement to give the following condition in Comsol Multiphysics:
source1(T), for time(t)= 0-2 sec,
0, for t=2-3 sec,
source(2), for t=3-5 sec,
0, for t= 5-6 sec,
source1(T), for time(t)= 6-8 sec,
0, for t=8-9 sec,
source(2), for t=9-11 sec,
0, for t= 11-12 sec, and so on till 600 sec. Please note that source1 and source2 are functions of temperature, which had been added using the interpolation function in the definition tab.
Is there any other way to give the above-mentioned conditions? Please sugeest.
Regards
Prakash Singh
I am using heat transfer in solids and fluids model in Comsol Multiphysics. I want to add a heat source term in the solid domain, which is the function of solid domain temperature.
The source term is as follows:
Q=rho*Cp(T)*Tad(T)/dt.
where rho, Cp and Tad are density, specific heat and Adiabatic temperature of the solid domain, which is the function of solid domain temperature.
I have used interpolation for defining Cp and Tad properties of materials in Comsol Multiphysics.
Please see the attached files.
Then I defined the source as, Source= (rho*Cp(T)*Tad(T))/dt in the variables node and used this Source in the Heat transfer in solids and fluids section as a source term.
I am getting very less increment in temperature after simulation(only 1.5K). It should be approx 4.5-5K.
Can anyone tell me, where I am doing wrong?
I produced three different raster layers interpolating points collected in-situ in three different months in the same area using Kriging. What is the best way to highlight the temporal changes that occurred in the test site during this time? I did the standard deviation of the images, since it permits to summarize the variations in just one image. If I did the difference between subsequent images I produce two images to represent the same results. Am I right?
Hello everyone,
I try to do time-frequency analysis on the EEG data which are processed.
I want to average the trials together within a condition and then average the data within a group before doing the frequency treatments.
The problem is that I cannot average across participants in a group as they do not have the same channel numbers (some channels were removed during the pre-processing).
I have tried to interpolate each of my EEG structures with the interpol.m (Marco Simoes) function which takes as input an EEG structure and a chanlocs - cell array of channels specification (taken from EEG.chanlocs before removing channels) and returns as output an EEG structure with the new electrodes and respective signal added in he right places but I get this type of error: unable to perform assignement because the size of the left size is 70x45500 and the size of the right size is 61x45500.
I don't see how to solve this problem as I want all my structures to have 61 channels so that I can compare the data between participants.
Thank you very much for your help.
Best regards,
Mohamed Bouguerra
Hi,
I have 26 sampling locations, relatively well distributed, but not adequately enough to cover the study area. I have also a digital elevation model, from which I can extract much more locations. An important detail is that the temperature data are distributed in low elevations, but no temperature data is available at high elevations. Hence, I want to use the elevation data to sensitize the temperature interpolation process through co-kriging, which works with non collocated points. I prefer to use gstat, but I am not sure: a) what is an optimal number of elevation points that I have to use (I know that I have 26 temperature points, and that I need elevation points at high elevations) b) is there an automatic process tha provides reasonable kriging predictions, such as autokrige, for co-kriging?
I’ve come across a handful of tutorials on free energy perturbation (FEP) that use a pme interpolation order of 6, like the one from mdtutorials. It sets the interpolation order value in the GROMACS .mdp file with the following:
pme-order = 6
I have found other, different types of FEP tutorials that use interpolation orders of 4, like the ones linked below:
I have a general understanding of how PME works and some familiarity with FEP simulations and alchemical transformations, but have not run FEP simulations myself.
Could someone explain to me if and/or why higher order interpolation is needed for some or all types of FEP simulations?
Thank you!
I have an Excel file (a table) containing precipitation data, I need to place that data into a map. Each of the precipitation values correspond to a point which has a latitude and longitude.
I assume that the values have to be interpolated but I am not sure how to do it.
Could you help me with that?
I computed the structural similarity index (SSIM) value between a ground truth mask and its corresponding predicted mask in an image segmentation task using a UNet model. Both the ground truth and predicted masks are of 1024 x 1024 resolution. I got an SSIM value of 0.9544. I resized the ground truth and predicted mask to 512 x 512 using bicubic interpolation and measured its SSIM value to be 0.9444. I repeated the process for 256 x 256, 128 x128, and 64 x 64 image resolutions and found the SSIM values as 0.9259, 0.8593, and 0.8376. I observed that the equations for luminance, structure, and contrast components in the SSIM formula appear to be normalized and does not seem to vary with image resolution. My question is for the same pair of ground truth and predicted mask, why the SSIM values keep decreasing with decreasing image resolution?
I want to create rectangular zone, in my modele, after that interpolate data in this zone and exported it in data file. I have done for one time step but i can't do it for all time steps.
- I have a question about moving mesh in FLUENT, and I want to make the tube boundary move due to node pressure. I have seen other people's answers that the node pressure cannot be directly obtained, and The node pressure needs to be interpolated by the pressure on the face around the node. I would like to ask how to achieve this. Can anyone provide specific UDF?Thanks a lot~
Hello, I performed a spatio-temporal regression kriging (ordinary) on the residuals from a regression. I would like to know if the ST kriging predictor is an exact interpolator : That is, the values predicted at the sample data locations are equal to the observed value at the sample locations?
Thanks for your answer.
Lucas
Hi :)
I'm trying to replicate a protocol contained in the following paper: doi:10.1152/jn.00511.2016
I'd need to measure the median frequency of spontaneous oscillations of the membrane potential. To do so, I would like to calculate the discrete Fourier transform from a recording of spontaneous Vm oscillations and then the median frequency from a first-order interpolation of the cumulative probability of the power-spectral densities from 0.1 to 100 Hz.
I don't know how to perform this kind of calculations in Origin Pro software or Matlab: could you please help me with suggestions? Is there any simple code you know to start from?
Thanks,
I would like to use the R package "gstat" for predicting and mapping the distribution of water quality parameters using tow methods (using kriging and co-kriging)
I need a guide to codes or resources to do this
Azzeddine
I used to interpolate the result to structured grid and display with 'mesh' or 'surf' functions, but sometimes the interpolated data was outside of the boundary. I have tried different interpolation method, but it doesn't help.
Hello,
I performed a calibration, then with the measured values I got an equation for interpolating the values.
Is it possible to calculate the uncertainty for the interpolated values?
Any references would be great!
Thanks!
I was using bilinear interpolation for a PPPM (particle-particle-particle-mesh) on a FEM mesh but I think it is not valuable enough. So my question is: ¿ Do you know any algorithm for mesh point-particle interpolation on a Finite element mesh (for quadratic node elements actually).
Recently, our group collect some water samples at several rainfall events. And then I tried to analyze the c-Q relationships. The question is the amount of data in the falling part is less than the rising part. Could we use extending lines to interpolate the missing data? Or do I have some other choice to solve this problem?
Hi everybody,
I would like to ask you how I can get wind speed at a given location (lon, lat) and at a precise location. The attached script allows me to get wind speed at the mass point but I need to get wind speed at a given height e.g: 60m or 80m.
I am doing land use classification using multiple scenes from the Landsat satellite for 12 months. In each scene, I have removed the cloudy pixels and replaced them with pixels with no data value. Now I composited the 7 bands from 12 scenes together, but most of the bands have missing values, and the classified image also has missing values from those bands used.
Is there a way I could interpolate the missing values in each band from an average of the corresponding pixel from all other bands with values? I would like to do change detection afterward.
I am doing the analysis in ArcGIS Pro.
I have two points along a straight line path. Each of these points has associated with it weather forecast data in the form :
[forecast time, direction, speed]
I need to generate direction and speed predictions along a route between these points at regular intervals (e.g. 10m or 10s)
I have seen a lot of methods using four points for speed interpolation but these do not work well for only two points.
Any suggestions?
Dear, I am performing molecular dynamics through NAMD, and in the production stage (100ns), in my generated script, I can only get files > 80gb. How can I avoid producing a huge DCD file in the NAMD production step? Can anyone give a hint?
structure step3_input.psf
coordinates step3_input.pdb
set temp 310;
outputName step5_production; # base name for output from this run
# NAMD writes two files at the end, final coord and vel
# in the format of first-dyn.coor and first-dyn.vel
set inputname step4_equilibration;
binCoordinates $inputname.coor; # coordinates from last run (binary)
binVelocities $inputname.vel; # velocities from last run (binary)
extendedSystem $inputname.xsc; # cell dimensions from last run (binary)
dcdfreq 100;
dcdUnitCell yes; # the file will contain unit cell info in the style of
# charmm dcd files. if yes, the dcd files will contain
# unit cell information in the style of charmm DCD files.
xstFreq 100; # XSTFreq: control how often the extended systen configuration
# will be appended to the XST file
outputEnergies 100; # 5000 steps = every 10ps
# The number of timesteps between each energy output of NAMD
outputTiming 100; # The number of timesteps between each timing output shows
# time per step and time to completion
restartfreq 100; # 5000 steps = every 10ps
# Force-Field Parameters
paraTypeCharmm on; # We're using charmm type parameter file(s)
# multiple definitions may be used but only one file per definition
parameters toppar/par_all36m_prot.prm
parameters toppar/par_all36_na.prm
parameters toppar/par_all36_carb.prm
parameters toppar/par_all36_lipid.prm
parameters toppar/par_all36_cgenff.prm
parameters toppar/par_interface.prm
parameters toppar/toppar_all36_moreions.str
parameters toppar/toppar_all36_nano_lig.str
parameters toppar/toppar_all36_nano_lig_patch.str
parameters toppar/toppar_all36_synthetic_polymer.str
parameters toppar/toppar_all36_synthetic_polymer_patch.str
parameters toppar/toppar_all36_polymer_solvent.str
parameters toppar/toppar_water_ions.str
parameters toppar/toppar_dum_noble_gases.str
parameters toppar/toppar_ions_won.str
parameters toppar/toppar_all36_prot_arg0.str
parameters toppar/toppar_all36_prot_c36m_d_aminoacids.str
parameters toppar/toppar_all36_prot_fluoro_alkanes.str
parameters toppar/toppar_all36_prot_heme.str
parameters toppar/toppar_all36_prot_na_combined.str
parameters toppar/toppar_all36_prot_retinol.str
parameters toppar/toppar_all36_prot_model.str
parameters toppar/toppar_all36_prot_modify_res.str
parameters toppar/toppar_all36_na_nad_ppi.str
parameters toppar/toppar_all36_na_rna_modified.str
parameters toppar/toppar_all36_lipid_sphingo.str
parameters toppar/toppar_all36_lipid_archaeal.str
parameters toppar/toppar_all36_lipid_bacterial.str
parameters toppar/toppar_all36_lipid_cardiolipin.str
parameters toppar/toppar_all36_lipid_cholesterol.str
parameters toppar/toppar_all36_lipid_dag.str
parameters toppar/toppar_all36_lipid_inositol.str
parameters toppar/toppar_all36_lipid_lnp.str
parameters toppar/toppar_all36_lipid_lps.str
parameters toppar/toppar_all36_lipid_mycobacterial.str
parameters toppar/toppar_all36_lipid_miscellaneous.str
parameters toppar/toppar_all36_lipid_model.str
parameters toppar/toppar_all36_lipid_prot.str
parameters toppar/toppar_all36_lipid_tag.str
parameters toppar/toppar_all36_lipid_yeast.str
parameters toppar/toppar_all36_lipid_hmmm.str
parameters toppar/toppar_all36_lipid_detergent.str
parameters toppar/toppar_all36_lipid_ether.str
parameters toppar/toppar_all36_carb_glycolipid.str
parameters toppar/toppar_all36_carb_glycopeptide.str
parameters toppar/toppar_all36_carb_imlab.str
parameters toppar/toppar_all36_label_spin.str
parameters toppar/toppar_all36_label_fluorophore.str
parameters ../unk/unk.prm # Custom topology and parameter files for UNK
# Nonbonded Parameters
exclude scaled1-4 # non-bonded exclusion policy to use "none,1-2,1-3,1-4,or scaled1-4"
# 1-2: all atoms pairs that are bonded are going to be ignored
# 1-3: 3 consecutively bonded are excluded
# scaled1-4: include all the 1-3, and modified 1-4 interactions
# electrostatic scaled by 1-4scaling factor 1.0
# vdW special 1-4 parameters in charmm parameter file.
1-4scaling 1.0
switching on
vdwForceSwitching on; # New option for force-based switching of vdW
# if both switching and vdwForceSwitching are on CHARMM force
# switching is used for vdW forces.
# You have some freedom choosing the cutoff
cutoff 12.0; # may use smaller, maybe 10., with PME
switchdist 10.0; # cutoff - 2.
# switchdist - where you start to switch
# cutoff - where you stop accounting for nonbond interactions.
# correspondence in charmm:
# (cutnb,ctofnb,ctonnb = pairlistdist,cutoff,switchdist)
pairlistdist 16.0; # stores the all the pairs with in the distance it should be larger
# than cutoff( + 2.)
stepspercycle 20; # 20 redo pairlists every ten steps
pairlistsPerCycle 2; # 2 is the default
# cycle represents the number of steps between atom reassignments
# this means every 20/2=10 steps the pairlist will be updated
# Integrator Parameters
timestep 2.0; # fs/step
rigidBonds all; # Bound constraint all bonds involving H are fixed in length
nonbondedFreq 1; # nonbonded forces every step
fullElectFrequency 1; # PME every step
wrapWater on; # wrap water to central cell
wrapAll on; # wrap other molecules too
wrapNearest off; # use for non-rectangular cells (wrap to the nearest image)
# PME (for full-system periodic electrostatics)
PME yes;
PMEInterpOrder 6; # interpolation order (spline order 6 in charmm)
PMEGridSpacing 1.0; # maximum PME grid space / used to calculate grid size
# Constant Pressure Control (variable volume)
useGroupPressure yes; # use a hydrogen-group based pseudo-molecular viral to calcualte pressure and
# has less fluctuation, is needed for rigid bonds (rigidBonds/SHAKE)
useFlexibleCell no; # yes for anisotropic system like membrane
useConstantRatio no; # keeps the ratio of the unit cell in the x-y plane constant A=B
# Constant Temperature Control
langevin on; # langevin dynamics
langevinDamping 1.0; # damping coefficient of 1/ps (keep low)
langevinTemp $temp; # random noise at this level
langevinHydrogen off; # don't couple bath to hydrogens
# Constant pressure
langevinPiston on; # Nose-Hoover Langevin piston pressure control
langevinPistonTarget 1.01325; # target pressure in bar 1atm = 1.01325bar
langevinPistonPeriod 50.0; # oscillation period in fs. correspond to pgamma T=50fs=0.05ps
# f=1/T=20.0(pgamma)
langevinPistonDecay 25.0; # oscillation decay time. smaller value corresponds to larger random
# forces and increased coupling to the Langevin temp bath.
# Equal or smaller than piston period
langevinPistonTemp $temp; # coupled to heat bath
# run
numsteps 500000; # run stops when this step is reached
run 10000000; # 1ns
How can we interpolate between two very distant cross sections of a river ?
Hello,
We use the commercial eurofins abraxis kit's for the detection of anatoxin-a (toxin produced by cyanobacteria). The test is a direct competitive ELISA based on the recognition of Anatoxin-a by a monoclonal antibody. Anatoxin-a, when present in a sample, and an Anatoxin-a-enzyme conjugate compete for the binding sites of mouse anti-Anatoxin-a antibodies in solution.
The concentrations of the samples are determined by interpolation using the standard curve constructed with each run.
The sample was containing a large concentration of cyanobacteria. So we analysed the sample pur and diluted at 1/100 and 1/200 (to be ine the linearity zone of the standard range). The sample pur was negative. However the dilutions gave positive results and I don't know why.
Thank you for helping me understand.
I am working on kaolin clay as an adsorbent for wastewater treatment and also i have undergone XRD characteristics. Thus, the analyst send me two type of data. one is the scan of the sample in the ‘native’ detector resolution of 0.1313° 2Θ, the other contains the same data, but interpolated to a step size of 0.02° 2Θ. So, which one can be used for graphical analysis to interpret its diffraction pattern?
Hello, I am trying to run a simulation with real gas model from NIST using ch4a as working fluid. When I try to initialisate or run the simulation its not converging in Fluent,
in my simulation, inlet temp 110K, 0.02 kg/s ch4, pressure outlet 53 bar. just ıwant to see the phase change, ı try to understand the supercritical fluid, firstly ı tried to fit the curves at MATLAB, but there were wrongs with interpolations. ı reserach the rgp table from nist to CFX, ı couldnt, how do we deal with?
I was wondering if there's any tutorial or scripts that can be used to directly downscale and correct the bias in a reanalysis data available as NetCDF such as those provided by CRU or GPCC?
Also, for the downscaling part, does this mean we're just interpolating to lower mesh or is there an actual algorithm used to downscale the data in CDO?
Thanks in advance!
Srtm 30m Dem data has significantly less data coverage in Nepal region; even NasaDEM modified version of SRTM is not precise in that region, I have tried a fill function by which via idw interpolation I filled the gaps of those dem in that region, but since the holes in dem data extend up to 10km it is not scientifically justified to interpolate in that large region. Even after this kind of dem gaps filling interpolation algorithm, further processing using that dem like Slope, Aspect, etc. map carry forward those errors... Can anyone suggest any solution regarding how to fill those gaps in the srtm data?
How could one increase data values from weekly to daily observations using mathematical algorithm for interpolation?
I did baseline correction by Xpert high Score Plus software with manual setting and used cubic spline interpolation for bacterial cellulose (BC). Is this baseline correction good in xrd spectrum of cellulose?
Thank you
I want to learn about Solving Differential Equation based on Barycentric Interpolation. I want to learn this method, if someone has hand notes it would be great to share with me. I need to learn that in 2 weeks. Thanks in advance.
Suppose I got Force constants at 500K, 1000K, 1500K, and 2000K using TDEP. How do I interpolate the force constants for the temperatures in between?
https://ollehellman.github.io/page/workflows/minimal_example_6.html and https://ollehellman.github.io/program/extract_forceconstants.html talk a bit about the interpolation.
I found it confusing when I first used it, so I am explaining the steps here in much detail.
Hi everyone,
I'm trying to apply the spatial interpolation process for my NetCDF file. However, I keep getting the "segmentation fault (core dumped)" error.
The screenshot of the error and my NetCDF file are in the attachment.
I'd be so glad if you could explain what goes wrong during the interpolation process.
Thanks in advance
Best of luck
I am setting up an experiment to estimate the accuracy of different interpolation algorithms for generating a spatially continuous rainfall data (gird) for a certain area. The data density (number of points versus the area) and the spatial arrangement of the data (i.e., random versus grid-based ), will vary for each run (attempt)
The objective is to understand how each algorithm performs under varying data density and spatial configuration.
Typically, different studies have done this using station data of varying data density and spatial configuration. In the current context, there are limited stations (just about 2)and the intent is to execute this experiment using data sampled (extracted) from existing regional rainfall grid, but varying the data density as well as the spatial configuration.
Note that I cannot generate random values because the kriging is to be implemented as a (multivariate stuff ) using some rainfall covariates....random values will mess up the relevance of such covariates.
I did a rapid test and found that, despite a wide difference in the density and configuration, there was no significant difference in the accuracy result, based on cross validation results. What's going on? It's not intuitive to me!!
Please, can you identify something potentially not correct with this design? Theoretically, is there anything about dependency that may affect the result negatively? Generally, what may not be fine with the design? how can we explain this in your view??
Thanks for your thoughts.
Sorry for many text..