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 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100918/8c0708d6/attachment.htm
