Dear friends:
I read the instruction at here:http://cms.mpi.univie.ac.at/wiki/index.php/LCALCPOL
There is no scf calculation in the example of NaF.
However, there must be a scf calculation before "LBERRY=.TRUE." is used, because "LBERRY=.TRUE." automatically sets "ICHARG = 11".
Should ?LCALCPOL=.TRUE.? be used after a scf calculation?
Thanks in advance ：）
Should ?LCALCPOL? be used after scf?
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nkxirainbow
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Should ?LCALCPOL? be used after scf?
Last edited by nkxirainbow on Mon Dec 05, 2011 6:23 pm, edited 1 time in total.
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support_vasp
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Re: Should ?LCALCPOL? be used after scf?
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