[Pw_forum] occupancy number
Padmaja Patnaik
padmaja_patnaik at yahoo.co.uk
Wed Sep 2 22:59:47 CEST 2009
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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20090902/83497154/attachment.html>
More information about the users
mailing list