[Pw_forum] occupancy number
Padmaja Patnaik
padmaja_patnaik at yahoo.co.uk
Wed Sep 2 12:10:07 CEST 2009
Dear all,
Can anybody tell me how to know whether a sate 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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090902/a227f756/attachment.htm
More information about the Pw_forum
mailing list