[QE-users] i have doubt

[Giovanni Cantele]

1) please include your affiliation to the message, as usually done by all people taking part to this forum

2) I would use more meaningful and explanatory subjects, this usually results in a faster and more appropriate answer

This being said, the code is complaining because a run with calculation = ‘bands’ should follow a self-consistent or relax
run. The latter saves a number of files needed for the next calculations. Those files must exist and being accessible/readable
by the code when the band calculation run is started.

Maybe you either did not perform the scf run, or deleted some of the needed files, or else those files are stored in a directory
different from “./“ (as you specified in the outdoor variable) or with a prefix name different from that specified in the input
file you sent.

It is quite hard, if not impossible, to provide more help without more details.

Giovanni

PS in your run you might need to set the value of ecutrho (currently not specified) to a value larger than
its default, 4*ecutwfc, because you’re using PAW pseudo potentials

> On 22 Mar 2019, at 10:39, yasmin kani <yasminkani8 at gmail.com> wrote:
> 
> i have an error while running band structure calculation for InSb. i need a clarification
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-- 

Giovanni Cantele, PhD

CNR-SPIN
c/o Dipartimento di Fisica
Universita' di Napoli "Federico II"
Complesso Universitario M. S. Angelo - Ed. 6
Via Cintia, I-80126, Napoli, Italy

e-mail: giovanni.cantele at spin.cnr.it
            gcantele at gmail.com
Phone: +39 081 676910
Skype contact: giocan74
Web page: https://sites.google.com/view/giovanni-cantele

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