[Pw_forum] error in reading namelist system

Elie M elie.moujaes at hotmail.co.uk
Thu Mar 22 15:07:38 CET 2012


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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