Flow-chart of the GoGreenGo package.

Flow-chart of the GoGreenGo package.

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We present a software package GoGreenGo -- aimed to model local perturbations of periodic systems due to either chemisorption or point defects. The electronic structure of an ideal crystal is obtained by worldwide distributed standard quantum physics/chemistry codes, then processed by various tools performing projection to atomic orbital basis sets...

Context in source publication

Context 1
... component procedures exchange data through intermediate files packed in the hdf5 archive [45]. The flow-chart illustrating the relations between different programs of the package and the paths of data transfer between them is shown on the Fig.1. Specifically, ...