[Pw_forum] nscf run of GGA+U
project way
project.way95 at gmail.com
Wed Mar 1 15:35:04 CET 2017
thanks alot for helps Dear paolo, lorenzo and matteo
as i run both scf and nscf code on 1 processor the following error appears
for nscf run:
Error in routine pw_readfile (2):
error opening xml data file
regards
On Wed, Mar 1, 2017 at 12:58 AM, project way <project.way95 at gmail.com>
wrote:
> 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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