[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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