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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