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PARCHG file generation

Posted: Wed Oct 02, 2013 5:15 am
by giacomo giorgi
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

Re: PARCHG file generation

Posted: Thu Sep 12, 2024 9:01 am
by support_vasp

Hi,

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