Hi, Someone has answered your question yesterday. On Wed, Sep 2, 2009 at 4:59 PM, Padmaja Patnaik <padmaja_patnaik at yahoo.co.uk > wrote:
> Dear all, > Can anybody tell me how to know whether a state is fully or partially > filled from the calculations using PWSCF. Also, how to know what is the > number of occupancy in a state and the spin of the electrons in a > particular state. > > Thanks in advance, > regards > > Padmaja Patnaik > Research Scholar > Dept of Physics > IIT Bombay > Mumbai, India > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -- -------------------------------------------------- Duy Le PhD Student Department of Physics University of Central Florida. -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090902/7d7f230e/attachment.htm
