[Pw_forum] nscf run of GGA+U

project way project.way95 at gmail.com
Tue Feb 28 22:28:47 CET 2017


here are scf and nscf codes

regards

On Tue, Feb 28, 2017 at 8:25 PM, project way <project.way95 at gmail.com>
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:
> >
> > Error in routine read_rho_general (1):
> >      Reading ldaU ns
> >
> > thanks everyone who can help.
> >
>
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