[Pw_forum] Problem running calculations in version 5.0.1

[N H Joshi]

Hello,
 Sorry about the last mail..
Here is the correct input file and the the error message I get with version
5.0.1...


&control
    calculation = 'relax'
    prefix='Ni',
   tprnfor = .true.
   pseudo_dir = '.',
    outdir='.'
   wf_collect=.true.
  /
 &system
    ibrav= 0,
    nat= 6, ntyp= 1,
    ecutwfc =35
    ecutrho =360,
    occupations='smearing',
    smearing='mv',
   degauss=0.01,
    nspin=2
    starting_magnetization(1)=1.0
   /
 &electrons
   conv_thr =  1.0d-8
   mixing_beta = 0.2
   mixing_mode='local-TF'
/
&IONS
/
ATOMIC_SPECIES
 Ni  58.6931 Ni.pbe-nd-rrkjus.UPF
ATOMIC_POSITIONS (angstrom)
Ni       0.000000000   0.000000000   0.000000000    0   0   0
Ni       2.779543930  -0.744776550   2.034767380    0   0   0
Ni       1.389771960  -0.372388280   4.069534750    0   0   0
Ni       0.000000000   0.000000000   6.045464932
Ni       2.779543930  -0.744776550   8.022097250
Ni       1.389771889  -0.372388192   9.991374018
K_POINTS {automatic}
12 12 1 1 1 1
CELL_PARAMETERS {hexagonal}
3.330000000   -3.330000000  0.00000000
4.54886459   1.218864589  0.00000000
0.0000000000    0.0000000000   44.0



%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine multable (2):
      Not a group
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%


-Niharika Joshi
 Project student,
Indian Institute of Science Education and Research, Pune.











-- 
Niharika Joshi
Project student,
IISER,Pune
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