Dear all,
I am trying to run an scf calculation but the code complains:
" from read_namelists : error # 19 reading namelist system"
I have checked into my &system but could not find anything wrong.
"&control prefix='elphmono', calculation='scf',
restart_mode='from_scratch', verbosity='high', tprnfor=.true.,
pseudo_dir = '/home_cluster/fis718/eliemouj/espresso-4.3.2/pseudo',
outdir='/home_cluster/fis718/eliemouj/espresso-4.3.2/monographene/MONODIR',
/ &system ibrav= 4, celldm(1) =4.608737, celldm(3)=4.53666, nat=2, ntyp= 1,
ecutwfc =32, occupations='smearing', smearing='methfessel-paxton',
degauss=0.01, la2F=.true.
/ &electrons conv_thr=1.D-9, mixing_beta=0.1D0,
/
ATOMIC_SPECIES C 12.0107 C.pbe-rrkjus.UPF
ATOMIC_POSITIONS crystalC 0.000000 0.000000 0.000000C 0.333333 -0.333333
0.000000
K_POINTS {automatic}50 50 1 0 0 0 "Can anyone spot anything wrong with it.
Thank you all
Elie MoukaesUniversity of NottinghamNG7 2RDUK
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