[QE-users] Error in DOS calculation
Smarak Rath mm18d201
mm18d201 at smail.iitm.ac.in
Mon Sep 7 17:33:39 CEST 2026
Dear Friends
I successfully completed scf and nscf calculations for my system. But when
I do the DOS calculation using dos.x, I get the following error:
Error in routine fft_type_set (6):
there are processes with no planes. Use pencil decomposition (-pd .true.)
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine fft_type_set (6):
there are processes with no planes. Use pencil decomposition (-pd .true.)
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine fft_type_set (6):
there are processes with no planes. Use pencil decomposition (-pd .true.)
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...
This is my nscf file:
*&CONTROL calculation = 'nscf' restart_mode = 'from_scratch' outdir =
'./out/' prefix = 'het2' pseudo_dir = './pseudo/' tprnfor = .false.
tstress = .false. wf_collect = .true. max_seconds = 86400 verbosity =
'high'/&SYSTEM ibrav = 0 ntyp = 3 nat = 6 ecutwfc = 100 ecutrho = 800
ecutfock = 150 nbnd = 120 occupations = 'tetrahedra' input_dft =
'gaupbe' nqx1 = 4 nqx2 = 4 nqx3 = 4
x_gamma_extrapolation = .false. force_symmorphic = .true./&ELECTRONS
conv_thr = 1e-8 mixing_beta = 0.4/ATOMIC_SPECIESMo 95.95
Mo.pbe-spn-rrkjus_psl.1.0.0.UPFS 32.065
S.pbe-n-rrkjus_psl.1.0.0.UPFSn 118.71 Sn.pbe-dn-rrkjus_psl.1.0.0.UPF*
This is my dos.in file:
&DOS
prefix = 'het2'
outdir = './out/'
Emin = -70.0
Emax = 30.0
DeltaE = 0.01
fildos = 'het2.dos'
/
Can anyone tell me what might have gone wrong?
Regards
Smarak Rath
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