[Pw_forum] group

[ali kazempoor]

hi 
in starting for run the code take this error
coset : error #         1
     The order of the group is not a multiple of that
of the subgroup.
input file:
 
  &CONTROL
                       title = MnAs ,
                 calculation = 'scf' ,
                restart_mode = 'from_scratch' ,
                      outdir =
'/scratch/akazempo/tmp/' ,
                  pseudo_dir =
'/afs/ictp/home/a/akazempo/espresso-3.2/pseudo/' ,
                      prefix = MnAs ,
 /
 &SYSTEM
                       ibrav = 4, 
                   celldm(1) = 28.156
                  celldm(3)=  0.375337
                         nat = 8,
                        ntyp = 2,
                     ecutwfc = 30 ,
                     ecutrho = 400 ,  
                 occupations = 'smearing' ,
                     degauss = 0.02 , 
                    smearing = 'methfessel-paxton' ,
                       nspin = 2 ,
   starting_magnetization(1) = 1.0,
   starting_magnetization(2) = 0.2,
    
 /
 &ELECTRONS
            electron_maxstep = 100,
                    conv_thr = .00001 ,
 /
ATOMIC_SPECIES
   Mn   74.92000  Mn.PBE-VAN.UPF
   As   54.93000  As.pbe-n-van.UPF 
ATOMIC_POSITIONS crystal 
  Mn     0.5    0.5     0.00000
  Mn     0.5    0.5     0.5  
  As     0.583333     0.66666   0.25
  As      0.583333  0.4166666  0.25
  As    0.3333333   0.4166666   0.25
  As    0.41666    0.5833333   0.75
  As    0.66666    0.5833333   0.75
  As     0.416666  0.3333333    0.75

K_POINTS  automatic
2 2 6 1 1 1    







       
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