Thank you very much! Lilonghua! I think that the problem is related with the "home-made and too simple" parser that we now use for dumping the input file!
I'll work on improving it! thank you very much for reporting bugs! and helping us improving ESPRESSO. Layla 2011/8/17 lilonghua <foursea at 163.com> > Dear Layla, > > Sorry to reply so late. Although I have solve this problem by decreasing > the character length (<79) of each line, I am glad to attach the input that > cause the problem, if you are interest to this problem: > > &control > calculation = 'scf' > restart_mode='from_scratch', > prefix='silicon', > pseudo_dir = '$PSEUDO_DIR/', > outdir='./tmp' > > / > &system > ibrav= 2, celldm(1) =10.20, nat= 2, ntyp= 1, > ecutwfc =12.0, nbnd = 8, > input_dft='pbe0', nqx1 = 1, nqx2 = 1, nqx3 = 1, > exxdiv_treatment='g-b' ! gygi-baldereschi, > yukawa, erfc_simple, vcut_ws, vcut_spheric, none > ecutvcut=0.7 > x_gamma_extrapolation = .true. > / > &electrons > mixing_beta = 0.7 > / > ATOMIC_SPECIES > Si 28.086 Si.pz-vbc.UPF > ATOMIC_POSITIONS > Si 0.00 0.00 0.00 > Si 0.25 0.25 0.25 > K_POINTS > 10 > 0.1250000 0.1250000 0.1250000 1.00 > 0.1250000 0.1250000 0.3750000 3.00 > 0.1250000 0.1250000 0.6250000 3.00 > 0.1250000 0.1250000 0.8750000 3.00 > 0.1250000 0.3750000 0.3750000 3.00 > 0.1250000 0.3750000 0.6250000 6.00 > 0.1250000 0.3750000 0.8750000 6.00 > 0.1250000 0.6250000 0.6250000 3.00 > 0.3750000 0.3750000 0.3750000 1.00 > 0.3750000 0.3750000 0.6250000 3.00 > > > > Best regards, > Longhua Li > 2011-08-17 > foursea at 163.com > ---------------------------------------- > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110817/7ee83d51/attachment.htm
