[Pw_forum] nelec

Paolo Giannozzi giannozz at democritos.it
Sat Dec 18 09:22:06 CET 2010


On Dec 18, 2010, at 4:38 , W2AGZ wrote:
> what happened to nelec in namelist &system in 4.2.1?
>
 From file Doc/release-notes:

Incompatible changes in version 4.2:
[...]
* nelec, nelup, neldw, multiplicity variables removed from input:
   use tot_charge and tot_magnetization instead

So tot_charge is the variable to be used
> To All, have a happy and joyous winter solstice break.
>

thank you!  Here (Udine and Trieste) we just received the
once-traditional snow delivery, in rather large amount

Paolo
---
Paolo Giannozzi, Dept of Chemistry&Physics, Univ. Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222







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