[Pw_forum] QE v4.3.2 failed to read the input file of v4.3

lilonghua foursea at 163.com
Wed Aug 17 10:29:35 CEST 2011


Dear Layla,

Sorry to reply so late. Although I have solve this problem by decreasing the character length (<79) of each line, I am glad to attach the input that cause the problem, if you are interest to this problem:

 &control
    calculation = 'scf'
    restart_mode='from_scratch',
    prefix='silicon',
    pseudo_dir = '$PSEUDO_DIR/',
    outdir='./tmp'

 /
 &system    
    ibrav=  2, celldm(1) =10.20, nat=  2, ntyp= 1,
    ecutwfc =12.0,  nbnd = 8,
    input_dft='pbe0', nqx1 = 1, nqx2 = 1, nqx3 = 1, 
    exxdiv_treatment='g-b'                               ! gygi-baldereschi, yukawa, erfc_simple, vcut_ws, vcut_spheric, none
    ecutvcut=0.7
    x_gamma_extrapolation = .true. 
 /
 &electrons
    mixing_beta = 0.7 
 /
ATOMIC_SPECIES
 Si  28.086  Si.pz-vbc.UPF
ATOMIC_POSITIONS
 Si 0.00 0.00 0.00 
 Si 0.25 0.25 0.25 
K_POINTS
  10
   0.1250000  0.1250000  0.1250000   1.00
   0.1250000  0.1250000  0.3750000   3.00
   0.1250000  0.1250000  0.6250000   3.00
   0.1250000  0.1250000  0.8750000   3.00
   0.1250000  0.3750000  0.3750000   3.00
   0.1250000  0.3750000  0.6250000   6.00
   0.1250000  0.3750000  0.8750000   6.00
   0.1250000  0.6250000  0.6250000   3.00
   0.3750000  0.3750000  0.3750000   1.00
   0.3750000  0.3750000  0.6250000   3.00



  Best regards,
Longhua Li
2011-08-17 				
foursea at 163.com
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