Question on input files/tags, interpreting output, etc.
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lsam
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- Location: Universidade do Minho
#1
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by lsam » Tue Dec 04, 2007 6:01 pm
Dear VASP users,
I am using VASP with PAW pseudopotencials for TiCO .I would like to know what happens if I do not set the RWIGS values in the INCAR file alloys? Should I set the RWIGS values?
I observed that if I do not set the RWIGS in the INCAR file, VASP set the RWIGS to -1 in the OUTCAR.
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Atomic Wigner-Seitz radii
RWIGS = -1.00 -1.00 -1.00
...
Best Regards
Last edited by
lsam on Tue Dec 04, 2007 6:01 pm, edited 1 time in total.
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admin
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#2
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by admin » Wed Dec 05, 2007 12:26 pm
if you use the PAW PPs, you do not have to set RWIGS explicitely, it is taken from POTCAR by default. please ignore the -1 when using PAW PPs.
Last edited by
admin on Wed Dec 05, 2007 12:26 pm, edited 1 time in total.