[Pw_forum] nscf run of GGA+U
Lorenzo Paulatto
lorenzo.paulatto at impmc.upmc.fr
Wed Mar 1 11:25:59 CET 2017
On Tuesday, February 28, 2017 10:28:47 PM CET project way wrote:
> here are scf and nscf codes
>
Hello,
your inputs work perfectly for me with version 5.4 and 6.0 of the code. Are
you running the nscf part with the same number of CPUs as the scf one?
--
Dr. Lorenzo Paulatto
IdR @ IMPMC -- CNRS & Université Paris 6
phone: +33 (0)1 442 79822 / skype: paulatz
www: http://www-int.impmc.upmc.fr/~paulatto/
mail: 23-24/423 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05
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