[QE-users] nscf in super cell

[Fariba Islam]

I wrote the following code for nscf calculation of a silicon supercell. Why
do I get "c_bands:  2 eigenvalues not converged
     c_bands:  1 eigenvalues not converged...." in my output file and the
calculation is not stopping
&control
    calculation = 'nscf'
    restart_mode='from_scratch'
    prefix = 'si_b'
    outdir='./tmp/'
    pseudo_dir='../pseudo/'
/
&system
    ibrav=2, celldm(1) = 20.8218,
    nat=16, ntyp=1,
    ecutwfc=40
    ecutrho=160
    noinv=.true.
    nosym=.true.
    occupations='smearing' , smearing='gaussian',degauss=0.005
/
&electrons
    conv_thr=1e-8
/
ATOMIC_SPECIES
 Si  28.0855  Si_ONCV_PBE-1.0.upf

ATOMIC_POSITIONS (alat)
Si 0.000000   0.000000   0.000000
Si -0.374989   0.375011   0.375011
Si -0.250000   0.250000   0.000000
Si -0.624989   0.625011   0.375011
Si 0.000000   0.250000   0.250000
Si -0.374989   0.625011   0.625011
Si -0.250000   0.500000   0.250000
Si -0.624989   0.875011   0.625011
Si -0.250000   0.000000   0.250000
Si -0.624989   0.375011   0.625011
Si -0.500000   0.250000   0.250000
Si -0.874989   0.625011   0.625011
Si -0.250000   0.250000   0.500000
Si -0.624989   0.625011   0.875011
Si -0.500000   0.500000   0.500000
Si -0.874989   0.875011   0.875011

K_POINTS {automatic}
12 12 12 0 0 0
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