[Pw_forum] nscf run of GGA+U
Lorenzo Paulatto
lorenzo.paulatto at impmc.upmc.fr
Tue Feb 28 21:36:06 CET 2017
On Tuesday, 28 February 2017 17:55:57 CET project way wrote:
> On 2/28/17, project way <project.way95 at gmail.com> wrote:
> > Hello
> > Dear QE developers and users
> >
> > Im using QE-5.3.0 on ubuntu. I have been running my code using GGA+U
> > and I used the U values of an article. the scf calculation was done
> > without any problem but just in nscf calculations it seems that nscf
> > program can not read U values and the following error was appeared:
Dear Mr. Project Way,
please provide the exact input of the scf and nscf calculations that you are
trying to run if you want any help.
kind regards
--
Dr. Lorenzo Paulatto
IdR @ IMPMC -- CNRS & Université Paris 6
+33 (0)1 44 275 084 / skype: paulatz
http://www.impmc.upmc.fr/~paulatto/
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