[Pw_forum] nscf run of GGA+U

project way project.way95 at gmail.com
Tue Feb 28 17:55:57 CET 2017


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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