Hello all,
I am trying to relax a structure with 8 atoms (5 carbons and three hydrogens)
but a few seconds after execution, the code stops with the error:
reading_namelist error # 19namelist system
which means there is an error in the SYSTEM part. However I checked it several
times and could not spot any errors. Any help please?
&control prefix='structure', calculation='vc-relax',
restart_mode='from_scratch', tstress=.true., tprnfor=.true.,
verbosity='high', pseudo_dir =
'/home_cluster/fis718/eliemouj/espresso-4.3.2/pseudo',
outdir='/home_cluster/fis718/eliemouj/espresso-4.3.2/Graphyne/GRAPHYNEDIR',
/ &system ibrav= 0, celldm(1)= 9.008277, nat=8, ntyp= 2, ecutwfc
=32, ecutrho=288,occupations='smearing', smearing='mv',degauss=0.02
/ &electrons conv_thr=1.D-7, mixing_beta=0.3D0,
mixing_mode='local-TF', diago_david_ndim=2,
N.B: I have realised that when celldm(1) (9.008277 Bohrs) option is removed, I
do not get this particular error again.
Thank you
Elie Mouyt University of NottinghamNG7 2RD UK
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