[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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