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Hello all,<div><br></div><div>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:</div><div><br></div><div>reading_namelist error # 19</div><div>namelist system</div><div><br></div><div>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?</div><div><br></div><div><div>&control</div><div> prefix='structure',</div><div> calculation='vc-relax',</div><div> restart_mode='from_scratch',</div><div> tstress=.true.,</div><div> tprnfor=.true.,</div><div> verbosity='high',</div><div> pseudo_dir = '/home_cluster/fis718/eliemouj/espresso-4.3.2/pseudo',</div><div> outdir='/home_cluster/fis718/eliemouj/espresso-4.3.2/Graphyne/GRAPHYNEDIR',</div><div> </div><div> /</div><div> &system </div><div> ibrav= 0, celldm(1)= 9.008277, nat=8, ntyp= 2, ecutwfc =32, ecutrho=288,occupations='smearing', smearing='mv',degauss=0.02</div><div><br></div><div>/</div><div> &electrons</div><div> conv_thr=1.D-7, </div><div> mixing_beta=0.3D0,</div><div> mixing_mode='local-TF',</div><div> diago_david_ndim=2, </div></div><div><br></div><div>N.B: I have realised that when celldm(1) (9.008277 Bohrs) option is removed, I do not get this particular error again.</div><div><br></div><div>Thank you</div><div><br></div><div>Elie Mouyt</div><div> University of Nottingham</div><div>NG7 2RD </div><div>UK </div> </div></body>
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