After the calculation of scf I ran a calculation DOS, but it gives an error as follows (I want to calculate the DOS with a hybrid potential)
Input file for scf
&CONTROL
calculation = 'scf'
prefix = 'CN'
outdir = './outdir'
pseudo_dir = './pseudo'
verbosity = 'high'
/
&SYSTEM
a = 1.86178e+01
c = 4.50000e+00
degauss = 1.00000e-02
ecutrho = 480
ecutwfc = 40
ibrav = 6
nat = 44
ntyp = 1
input_dft = 'pbe0' ,
nqx1 = 1, nqx2 = 1, nqx3 = 1,
x_gamma_extrapolation = .true.
exxdiv_treatment = 'gygi-baldereschi'
occupations = "tetrahedra"
smearing = "gaussian"
/
&ELECTRONS
conv_thr = 1.00000e-06
mixing_beta = 7.00000e-01
/
ATOMIC_SPECIES
C 12.01070 C.pbe-van_ak.UPF
ATOMIC_POSITIONS {angstrom}
C 13.617800 9.265100 5.000000
C 13.443300 10.479100 7.131500
C 11.098900 13.184600 5.000000
C 9.922100 13.530200 7.131500
C 6.487200 12.521600 5.000000
C 5.684000 11.594700 7.131500
C 5.174500 8.051100 5.000000
C 5.684000 6.935500 7.131500
C 8.695700 5.000000 5.000000
C 9.922100 5.000000 7.131500
C 12.933800 6.935500 5.000000
C 13.443300 8.051100 7.131500
C 12.933800 11.594700 6.421000
C 12.130600 12.521600 8.552500
C 8.695700 13.530200 6.421000
C 7.518900 13.184600 8.552500
C 5.174500 10.479100 6.421000
C 5.000000 9.265100 8.552500
C 6.487200 6.008600 6.421000
C 7.518900 5.345600 8.552500
C 11.098900 5.345600 6.421000
C 12.130600 6.008600 8.552500
C 12.933800 11.594700 5.000000
C 12.130600 12.521600 7.131500
C 8.695700 13.530200 5.000000
C 7.518900 13.184600 7.131500
C 5.174500 10.479100 5.000000
C 5.000000 9.265100 7.131500
C 6.487200 6.008600 5.000000
C 7.518900 5.345600 7.131500
C 11.098900 5.345600 5.000000
C 12.130600 6.008600 7.131500
C 13.617800 9.265100 6.421000
C 13.443300 10.479100 8.552500
C 11.098900 13.184600 6.421000
C 9.922100 13.530200 8.552500
C 6.487200 12.521600 6.421000
C 5.684000 11.594700 8.552500
C 5.174500 8.051100 6.421000
C 5.684000 6.935500 8.552500
C 8.695700 5.000000 6.421000
C 9.922100 5.000000 8.552500
C 12.933800 6.935500 6.421000
C 13.443300 8.051100 8.552500
K_POINTS automatic
1 1 10 0 0 0
Input file for DOS
&dos
prefix = 'CN'
outdir = './outdir'
fildos = 'CNT-DOS.dat'
DeltaE = 0.01
output file for DOS
Program DOS v.6.6 starts on 5Jun2023 at 20:38:19
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 & OpenMP), running on 20 processor cores
Number of MPI processes: 20
Threads/MPI process: 1
MPI processes distributed on 7 nodes
R & G space division: proc/nbgrp/npool/nimage = 20
Fft bands division: nmany = 1
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine dos (1):
reading dos namelist
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...
SLURM script
#!/bin/bash
#SBATCH -J QE
#SBATCH --ntasks=20
#SBATCH --ntasks-per-core=1
#SBATCH --partition=longq
#SBATCH -o %x-%j.out
#SBATCH -e %x-%j.err
#load modules
module load QuantumESPRESSO/6.6-foss-2019b
export OMP_NUM_THREADS=1
#run
mpirun -np $SLURM_NTASKS dos.x DOS.in > DOS.out
wfc#.datandcharge-density.datfiles inside theoutdir/CN.save/directory? I ran SCF and subsequent dos calculations for a smaller system using your input file structure and I didn't face any problems running it. I used QE v.7.2. Maybe consider the new stable version instead of v.6.6 $\endgroup$CN. However, in the screenshot, it isCNT(11.0). Kindly provide the exact input file that is creating the problem. If all other parameters are correct, then just fix the prefix (keep it same for all calculation). $\endgroup$