[Pw_forum] vc-relax

[B.T. Hope]

Hi there,

I am trying to perform a vc-relax calculation but keep getting the error 
message

from  read_namelists  : error #         1
      reading namelist ions


Here is my input file:

&CONTROL
                 calculation = 'vc-relax' ,
                restart_mode = 'from_scratch' ,
                  pseudo_dir = '/scratch/bth/Programs/Espresso/pseudo/' ,
                      prefix = 'Co',
                   verbosity = 'high',
                          dt = 100,
                     tstress = .true.
                     tprnfor = .true.

/
&SYSTEM
                       ibrav = 2,
                           A = 4.738,
                           B = 4.738,
                           C = 7.690,
                       cosAB = -0.5 ,
                       cosAC = 0.0 ,
                       cosBC = 0.0 ,
                         nat = 2,
                        ntyp = 1,
                     ecutwfc = 20 ,
                     ecutrho = 80 ,
      starting_magnetization = 1.0,		
                       nspin = 2,
                 occupations = 'smearing',
                     degauss = 0.001,
/
&CELL
              cell_dynamics = 'damp-pr',
/
&IONS
               ion_dynamics = 'damp',
                      tempw = 300.0,
/
&ELECTRONS 
    diagonalization='$diago'
    mixing_mode = 'plain'
    mixing_beta = 0.7 
    conv_thr =  1.0d-8
/
ATOMIC_SPECIES
   Co   58.93  Co.pbe-nd-rrkjus.UPF
ATOMIC_POSITIONS crystal 
   Co      0.333333333    0.666666667    0.250000000    0  0  0 
   Co      0.666666667    0.333333333    0.750000000    0  0  0 
K_POINTS automatic 
  2 2 1   1 1 1 

Can anyone see what's going wrong?

Thanks

Ben


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Ben Hope
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