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INCAR

Posted: Mon Aug 27, 2007 5:16 pm
by rudra-b
hello friends,
i want to know one thing: do VASP read the INCAR file in every step of geometric convergence? i.e. if I change the value of a parameter in INCAR after calculation started, do the change effect the calculation or it continues with previous value?

INCAR

Posted: Tue Aug 28, 2007 11:20 am
by dcurulla
Hi,

I think that INCAR file is only read once at the beginning of the calculation.

Cheers

INCAR

Posted: Wed Aug 29, 2007 11:07 am
by admin
INCAR is only read at the beginning of a vasp-run