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 <[email protected]> wrote: > > i have an error while running band structure calculation for InSb. i need a > clarification > <insb.band.in><insbbandout>_______________________________________________ > users mailing list > [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users -- 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: [email protected] [email protected] Phone: +39 081 676910 Skype contact: giocan74 Web page: https://sites.google.com/view/giovanni-cantele
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