3.6.11. horton.io.vasp – VASP POSCAR, CHGCAR and POTCAR file formats¶
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horton.io.vasp.load_chgcar(filename)¶ Reads a vasp 5 chgcar file.
Arguments:
- filename
- The VASP filename
Returns: a dictionary containing:
title,coordinates,numbers,cell,grid,cube_data.
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horton.io.vasp.load_locpot(filename)¶ Reads a vasp 5 locpot file.
Arguments:
- filename
- The VASP filename
Returns: a dictionary containing:
title,coordinates,numbers,cell,grid,cube_data.
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horton.io.vasp.load_poscar(filename)¶ Reads a vasp 5 poscar file.
Arguments:
- filename
- The VASP filename
Returns: a dictionary containing:
title,coordinates,numbers,cell.
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horton.io.vasp.dump_poscar(filename, data)¶ Write a file in VASP’s POSCAR format
Arguments:
- filename
- The name of the file to be written. This is usually POSCAR.
- data
- An IOData instance. Must contain
coordinates,numbers,cell. May containtitle.