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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