[QE-users] bands namelist error

[Fabrizio Cossu]

Oohps, that was a trivial mistake.
Thank you, Paolo, for pointing it out! It worked fine as it should be.

Fabrizio

On Fri, 3 May 2019 at 16:23, Paolo Giannozzi <p.giannozzi at gmail.com> wrote:

> "lsym" is a logical variable, so lsym=.true., not  lsym='true'
>
> Paolo
>
> On Fri, May 3, 2019 at 8:03 AM Fabrizio Cossu <fabrizio.cossu at apctp.org>
> wrote:
>
>>    Dear QE Users,
>> I'm calculating the band structure of NbP, and I successfully run up to
>> the 'nscf'. However, with bands.x I get the following error message (see
>> also attachment):
>>
>> *******************************************************************
>> [...]
>>      MPI processes distributed on     3 nodes
>>      R & G space division:  proc/nbgrp/npool/nimage =      84
>>
>>
>>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>>      Error in routine bands (64):
>>      reading bands namelist
>>
>>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>>
>>      stopping ...
>> [...]
>> *******************************************************************
>> I searched in the past discussions, but I have none of the errors pointed
>> out therein.
>> What's the cause of the present error?
>>
>> Here are the commands I used to call the executables and relative input
>> files:
>> *******************************************
>> module load QuantumESPRESSO/6.4-nsc1-intel-2018b-eb
>>
>>  mpprun -n 84 pw.x -nk 4 -inp scf.in > scf.out 2>&1
>>  mpprun -n 84 pw.x -nk 4 -inp nscf.in > nscf.out 2>&1
>>  mpprun -n 84 pw.x -nk 4 -inp em-prop.in > em-prop.out 2>&1
>>  mpprun -n 84 bands.x -nk 1 -inp bands.in > bands.out 2>&1
>> *******************************************
>>
>>
>>    Thank you in advance for any help.
>>
>>    Kind regards,
>>    Fabrizio
>>
>> --
>>
>> *Fabrizio Cossupostdoctoral fellow at APCTP (Asia Pacific Center for
>> Theoretical Physics)*,
>> Hogil Kim Memorial Building #501
>> POSTECH, 67 Cheongam-Ro, Nam-Gu,
>> Pohang-si, Gyeongsangbuk-do,
>> 790-784 (37673), Republic of Korea
>>
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>>
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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
>
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