[QE-users] different file for plot_num=1 in old(6.3) and new(6.4.1 )versions

Manoar Hossain manoarphy at niser.ac.in
Sat Jul 20 14:37:37 CEST 2019


Dear Fabira,

Please add the line
raux(:) = raux(:,1) + vltot(:)

at the end of the block between lines
  ELSEIF (plot_num == 1) THEN
  ...
  ELSEIF (plot_num == 2) THEN
(as suggested by Paolo Giannozzi)


Best regards,

On Sat, Jul 20, 2019 at 10:44 AM Fariba Nazari <nazari at iasbs.ac.ir> wrote:

> ​Dear all,
>
> The output file for plot_num=1  by running pp.x with quantum esperesso
> 6.4.1 is different from older versions. I did check it in WorkFct_example.
> For plot_num=11 the obtained files are the same  but they are different
> with plot_num=1.  Would you please let me know what is the reason?
>
> Regards
> Fariba
> IASBS
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-- 
Manoar Hossain
Research Scholar
School of Physical Sciences
National Institute of Science Education and Research (NISER)
Bhubaneswar, Jatni, Khurda, Odisha, 752050, INDIA
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