[Pw_forum] nscf run of GGA+U

[Paolo Giannozzi]

You are not reading scf data from the directory where the data is

Paolo

On Wed, Mar 1, 2017 at 3:35 PM, project way <project.way95 at gmail.com> wrote:
> 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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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222