[QE-users] Error in QE : error message for pseudopotential (with not a valid URI)

[deepti rajpoot]

Dear Pietro,
Thank you for your reply.
Yes, I have checked all the files (.UPF) and they are present in my pseudo
directory.


Thank you

Yours Sincerely,

Deepti Rajpoot

Research Scholar

Indian Institute of Science Education and Research Bhopal

Bhopal, Madhya Pradesh,

India


On Mon, Jun 15, 2020 at 3:18 PM Deepti Rajpoot <deeptirajpoot03 at gmail.com>
wrote:

> Hello users,
>
> I am facing problem in QE. I am running single scf file but it is giving
> me following error message and only few lines get printed in output file. I
> have tried 6.2, 6.3 and 6.5 but it is giving the same error. I have also
> tried changing pseudopotential using upftool but did not solve the problem.
>
> I will be grateful for your kind help.
>
>
>
> Thank you
>
> Yours Sincerely,
>
> Deepti Rajpoot
>
> Research Scholar
>
> Indian Institute of Science Education and Research Bhopal
>
> Bhopal, Madhya Pradesh,
>
> India
>
> -
>
> -
>
> -
>
> -
>
>      Program PWSCF v.6.5 starts on 15Jun2020 at 15:20:36
>
>
>
>      This program is part of the open-source Quantum ESPRESSO suite
>
>      for quantum simulation of materials; please cite
>
>          "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
>
>          "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
>
>           URL http://www.quantum-espresso.org",
>
>      in publications or presentations arising from this work. More details
> at
>
>      http://www.quantum-espresso.org/quote
>
>
>
>      Parallel version (MPI), running on   160 processors
>
>
>
>      MPI processes distributed on    10 nodes
>
>      K-points division:     npool     =       4
>
>      R & G space division:  proc/nbgrp/npool/nimage =      40
>
>      Reading input from scf.in
>
>
>
>      Current dimensions of program PWSCF are:
>
>      Max number of different atomic species (ntypx) = 10
>
>      Max number of k-points (npk) =  40000
>
>      Max angular momentum in pseudopotentials (lmaxx) =  3
>
> -
>
> -
>
> -
>
> -
>
> -
>
> -
>
> And the error it is showing is
>
> Could not open file
> /home1/deepti17/scratch/25_SBFCO/vcrlxd_ccord_sbfco/4%_strain/single_scf/Bi.pbe-dn-rrkjus.UPF_
> - not a valid URI
>
> ERROR(FoX)
>
> Could not open file
> /home1/deepti17/scratch/25_SBFCO/vcrlxd_ccord_sbfco/4%_strain/single_scf/Bi.pbe-dn-rrkjus.UPF_
> - not a valid URI
>
> ERROR(FoX)
>
> Sent from Mail <https://go.microsoft.com/fwlink/?LinkId=550986> for
> Windows 10
>
>
>
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