Dear Andrea, Thank you very much! Owning to your help, I have got a perfect bands diagram without abnormal lines. Your instruction plays a significant role in curbing this problem. Many thanks!
Yuewen Fang 2012/9/4 Andrea Dal Corso <dalcorso at sissa.it> > Now use plotband.x on bands-down-lsym.dat. Plotband.x reads also > the .rap file and produces several files that you can plot with > a graphical program. > > Andrea > > > On Tue, 2012-09-04 at 20:12 +0800, Yue-Wen Fang wrote: > > I have use this way you said before, but just got two files > > name bands-down-lsym.dat.rap and bands-down-lsym.dat. > > What's more this flag lsym=.true. costs much more time in computing > > obviously with 4 processors. > > > > PID USER PR NI VIRT RES SHR S %CPU %MEM TIME+ COMMAND > > > > 2800 fyw 16 0 77416 33m 3332 R 89.9 0.2 5:53.96 bands.x > > > > 2834 fyw 16 0 76864 33m 3092 R 89.6 0.2 5:46.15 bands.x > > > > 2863 fyw 16 0 76344 33m 3092 R 89.6 0.2 5:48.02 bands.x > > > > 2805 fyw 16 0 76992 33m 3092 R 86.9 0.2 5:34.04 bands.x > > > > 2012/9/4 Andrea Dal Corso <dalcorso at sissa.it> > > You can try the flag lsym=.true. as input of bands.x and plot > > all the > > files that are produced by plotband.x. > > > > HTH, > > > > Andrea > > > > On Tue, 2012-09-04 at 18:04 +0800, Yue-Wen Fang wrote: > > > Dear all, > > > > > > > > > I plotted a bands diagram with plotband.x, but there is some > > chaos in > > > the diagram (namely the output file bands.ps). The diagram > > was put in > > > the this website: > > http://www.douban.com/group/topic/32502443/ > > > I also tried to save the bands.xmgr as bands.dat and load it > > to > > > origin 8.0 and Xmgrace, but all failed. The problem still > > emerged. > > > How to fix this program and curb the problem? > > > > > > > > > Best Regards! > > > > > > > > > -- > > > ---- > > > Yue-Wen Fang > > > > > > > > > > > > > > > > > > > > _______________________________________________ > > > Pw_forum mailing list > > > Pw_forum at pwscf.org > > > http://www.democritos.it/mailman/listinfo/pw_forum > > -- > > Andrea Dal Corso Tel. 0039-040-3787428 > > SISSA, Via Bonomea 265 Fax. 0039-040-3787249 > > I-34136 Trieste (Italy) e-mail: dalcorso at sissa.it > > > > > > _______________________________________________ > > Pw_forum mailing list > > Pw_forum at pwscf.org > > http://www.democritos.it/mailman/listinfo/pw_forum > > > > > > > > > > -- > > ---- > > Yue-Wen Fang > > > > > > > > > > > > > > _______________________________________________ > > Pw_forum mailing list > > Pw_forum at pwscf.org > > http://www.democritos.it/mailman/listinfo/pw_forum > -- > Andrea Dal Corso Tel. 0039-040-3787428 > SISSA, Via Bonomea 265 Fax. 0039-040-3787249 > I-34136 Trieste (Italy) e-mail: dalcorso at sissa.it > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -- ---- Yue-Wen Fang -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120904/e124d6c5/attachment-0001.htm