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
