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TODO
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1. Script conglomeration
a) ase.convert.py - is supposed to be efficient converter between many file formats. No m manipulations anipulation will be doen there
It could be started with geometry formats (xyz, POSCAR, geometry.in) and extended to volumetric data formats like CHGCAR .xfs or cube
will repalcae aims.poscar.py ase.xsf.py ase.xyz.py
b) ase.outout.reader.py - suposed to be a reader of output files of different applications (VASP, FHI AIMS, Fireball, etc): No convertion will be done here. But output data will be extracted in convenient format for farther manipulations
Will replace vasp.OUTCAR.*.sh ase.outcar.py
c) ase.trans.py - ASE based amnipulation script; translations, rotations of geometry and charges etc
2. Future work
a) ase.analisys.py - script fo data analisys of geometries, charges, dos, band_structure etc.
b) ase.dos.reader.py - script wchich reads DOS data from different formats VASP, aims, Fireball etc. and plots it in transparent format.
c) ase.bands.reader.py - script wchich reads band structure from different formats VASP, AIMS and plots it in transparent format.