build
Full name: ase2sprkkr.sprkkr.build
Description
This module contains routines for building systems, which can be used for SPR-KKR calculations - e.g. system with vacuum pseudoatoms, or 2D semiinfinite systems
Functions
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Build a semiinfinite system from one or two 3D periodic systems. |
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Stack the atoms along given axis to a one object, creating the regions in the atoms. |
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Creates a copy of atoms, filled with vacuum pseudoatoms |