[Pw_forum] no. of nbnd

vicky singh kirtinandan07 at gmail.com
Sat Sep 18 18:33:54 CEST 2010


Hi
I am studying a supercell for Ni with 64 atoms. while specifying nbnd how
much i select i am not sure. if i go by document PW.html it says that for
metal it should be nelec/2 + 20 %. then should i take nbnd = 400. also it
says minimum 4 more i.e. should i take nbnd = 330. Thanks in advance.

with regards

vicky singh
research student
Bangalore, India
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