Dear Jorg and Lilonghua I just have tested the example Jorg sent, and I did not find any input error with 4.3.2. Boh! I do not know! Can you send the output with the exact error message?
thank you for your collaboration Layla 2011/8/16 J?rg Buchwald <joerg.buchwald at iom-leipzig.de> > Hi, > i have the same problem (with the same error message) with v4.3.2, with > v4.3.1 it works fine. > > here my input file: > > -- > > &control > calculation='vc-relax' > prefix='silicon-vanderbilt', > pseudo_dir='/home/joerg/espresso-4.3.1/pseudo' > outdir = '/home/joerg/scratch', > tstress=.true. > disk_io='none' > / > &system > ibrav= 8, celldm(1) =10.33425, celldm(2)=1.0, celldm(3)=10.00, > nat= 80, ntyp= 1, ecutwfc = 55.0 > / > &electrons > diagonalization='david' > mixing_mode='plain' > / > &ions > / > &cell > / > ATOMIC_SPECIES > Si 28.086 Si.pbe-n-van.UPF > ATOMIC_POSITIONS > Si 0.00 0.00 0.00 > Si 0.25 0.25 0.25 > Si 0.50 0.50 0.00 > Si 0.75 0.75 0.25 > Si 0.50 0.00 0.50 > Si 0.75 0.25 0.75 > Si 0.00 0.50 0.50 > Si 0.25 0.75 0.75 > Si 0.00 0.00 1.00 > Si 0.25 0.25 1.25 > Si 0.50 0.50 1.00 > Si 0.75 0.75 1.25 > Si 0.50 0.00 1.50 > Si 0.75 0.25 1.75 > Si 0.00 0.50 1.50 > Si 0.25 0.75 1.75 > Si 0.00 0.00 2.00 > Si 0.25 0.25 2.25 > Si 0.50 0.50 2.00 > Si 0.75 0.75 2.25 > Si 0.50 0.00 2.50 > Si 0.75 0.25 2.75 > Si 0.00 0.50 2.50 > Si 0.25 0.75 2.75 > Si 0.00 0.00 3.00 > Si 0.25 0.25 3.25 > Si 0.50 0.50 3.00 > Si 0.75 0.75 3.25 > Si 0.50 0.00 3.50 > Si 0.75 0.25 3.75 > Si 0.00 0.50 3.50 > Si 0.25 0.75 3.75 > Si 0.00 0.00 4.0 > Si 0.25 0.25 4.25 > Si 0.50 0.50 4.00 > Si 0.75 0.75 4.25 > Si 0.50 0.00 4.50 > Si 0.75 0.25 4.75 > Si 0.00 0.50 4.50 > Si 0.25 0.75 4.75 > Si 0.00 0.00 5.0 > Si 0.25 0.25 5.25 > Si 0.50 0.50 5.00 > Si 0.75 0.75 5.25 > Si 0.50 0.00 5.50 > Si 0.75 0.25 5.75 > Si 0.00 0.50 5.50 > Si 0.25 0.75 5.75 > Si 0.00 0.00 6.0 > Si 0.25 0.25 6.25 > Si 0.50 0.50 6.00 > Si 0.75 0.75 6.25 > Si 0.50 0.00 6.50 > Si 0.75 0.25 6.75 > Si 0.00 0.50 6.50 > Si 0.25 0.75 6.75 > Si 0.00 0.00 7.0 > Si 0.25 0.25 7.25 > Si 0.50 0.50 7.00 > Si 0.75 0.75 7.25 > Si 0.50 0.00 7.50 > Si 0.75 0.25 7.75 > Si 0.00 0.50 7.50 > Si 0.25 0.75 7.75 > Si 0.00 0.00 8.0 > Si 0.25 0.25 8.25 > Si 0.50 0.50 8.00 > Si 0.75 0.75 8.25 > Si 0.50 0.00 8.50 > Si 0.75 0.25 8.75 > Si 0.00 0.50 8.50 > Si 0.25 0.75 8.75 > Si 0.00 0.00 9.0 > Si 0.25 0.25 9.25 > Si 0.50 0.50 9.00 > Si 0.75 0.75 9.25 > Si 0.50 0.00 9.50 > Si 0.75 0.25 9.75 > Si 0.00 0.50 9.50 > Si 0.25 0.75 9.75 > K_POINTS automatic > 7 7 7 0 0 0 > --- > Best, > J?rg Buchwald > > > -- > J?rg Buchwald > Leibniz-Institut fuer Oberflaechenmodifizierung e.V. > Permoserstrasse 15 > 04318 Leipzig > GERMANY > _______________________________________________ > 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/20110816/487d51e1/attachment.htm
