[Pw_forum] from 4.1 to 4.2 and 4.3.1 versions of QE in IBM sp6
Paolo Giannozzi
giannozz at democritos.it
Fri Nov 11 09:48:14 CET 2011
On Fri, 2011-11-11 at 04:39 +0100, giacsport at libero.it wrote:
> nelup=14,
> neldw=11,
> nelec=25,
from file Doc/release-notes that nobody ever reads:
===
Incompatible changes in version 4.2:
[...]
* nelec, nelup, neldw, multiplicity variables removed from input:
use tot_charge and tot_magnetization instead
[...]
===
P.
--
Paolo Giannozzi, IOM-Democritos and University of Udine, Italy
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