Re: [QE-users] Regarding bands Calculation

It should be filband not fillband in your bands.x input. Best, Minkyu Park Research Institute of Basic Sciences, University of Ulsan, 93, Daehak-ro, Nam-gu, Ulsan, 44610 Republic of Korea minkyup...@ulsan.ac.kr

Re: [QE-users] Regarding bands Calculation

You should also attach the output, and all the previous steps (scf, nscf). As far as I can tell, it could just be that you did not run pw.x before. cheers -- Lorenzo Paulatto - Paris On Jan 23 2021, at 11:46 am, Satyasiban Dash ph19d005 wrote: > Dear members, > I am traying to calculate the

Re: [QE-users] Regarding bands Calculation

#!/bin/bash #PBS -o logfile.log #PBS -e errorfile.err #PBS -l walltime=24:00:00 #PBS -l select=10:ncpus=10 #PBS -l pmem=20GB tpdir=`echo $PBS_JOBID | cut -f 1 -d .` tempdir=$HOME/scratch/job$tpdir mkdir -p $tempdir cd $tempdir cp -R $PBS_O_WORKDIR/* $tempdir ### pref='aiida'

[QE-users] Regarding bands Calculation

Dear members, I am traying to calculate the band structure but it was crash ,I am attaching the band,x input file please take a look and suggest. Thank You. ___ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list