Hi all,
I have a doubt. I want to create the PARCHG file for my VB and CB.
-As usual, at first I do my SCF calculation.
-Then I do a NSCF (ICHARG=11,ISTART=1,NSW=0) for generating the bandstructure.
-What about PARCHG? Can I use the same INCAR file of NSCF calculation (ICHARG=11)
with the proper tags (KPUSE,IBAND...) or should I use WAVECAR and CHGCAR from SCF calculation? In other word which preconverged WAVECAR to use?
Thanks,
Giacomo
PARCHG file generation
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giacomo giorgi
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PARCHG file generation
Last edited by giacomo giorgi on Wed Oct 02, 2013 5:15 am, edited 1 time in total.
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support_vasp
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Re: PARCHG file generation
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