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338 Database entries



wxDragon


Ratings:    9  votes
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OS: Linux, Windows

License: Shareware





Features:

Output files can be read directly from (Version: 1.7.1)

Gaussian 92/94/98 (geometries, charges, geom-optimization, vibrations, orbitals, cube-files)
ADF (geometries, charges, geom-optimization, vibrations)
Turbomol (geometries, charges, vibrations)
Gamess-UK (geometries, charges, vibrations)
Gamess-US (geometries, charges,orbitals)
VASP (geometries, charges, mdsim, ELF-, CHARGE- and LOCPOT-Density, Simple-DOS)
LMTO (geometries, DOS-, BNDS-, COHP-property, RHO and ELF files)
CPMD (geometries, DENSITY files (as cube files))
MPQC (geometries, charges)
BIND from YaeHMOP (geometries, orbitals)
JANA (working, but on some OS memory restrictions apply)
Siesta (outputfiles)
Conquest (outputfiles)
aixCCAD

Inputfiles for the following software can be viewed:

VASP (POSCAR,CONTCAR...)
Gaussian (the *.com file)
LMTO (INIT or CTRL)
Schakal (schakal file)
PDB (only partial, geometries)
ICSD data sheet
WIEN2K (struct-file, simple DOS file)
Siesta

Inputfiles for some programs can be directly generated:

VASP (POSCAR, INCAR, POTCAR)
WIEN2K (the struct file)
Gaussian (the .com file)
Gamess US (the .inp file)
aixCCAD
Siesta
Conquest

http://www.wxdragon.de



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