[Pw_forum] nelec
W2AGZ
w2agz at w2agz.com
Sat Dec 18 04:38:42 CET 2010
This question may have already been addressed on the Forum, but what
happened to nelec in namelist &system in 4.2.1? It appears to now be
defaulted to the number/occupation values of the valence orbitals within the
particular pseudopotentials chosen. How do I overide this default and
create some "jellum"...through tot_charge?
To All, have a happy and joyous winter solstice break. -Paul
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/pw_forum/attachments/20101217/c2df266c/attachment.htm
More information about the Pw_forum
mailing list