[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

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