Dear Andrea, i would like to know whether it is possible for new bands.x to deal with calculations by old code ?
Regards, Hai-Ping On 7/28/06, Andrea Dal Corso <dalcorso at sissa.it> wrote: > > The algorithm of bands.x has been changed. The new algorithm is in > espresso 3.1 or higher. If there are still problems with this new > version, please let me know. > > Best Regards, > > Andrea > > On Fri, 2006-07-28 at 02:50 +0800, lan haiping wrote: > > Dear Andrea > > > > my version is 3.0.. I should then update it .. > > > > Thank you > > > > Regards, > > > > Hai-Ping > > > > > > On 7/21/06, Andrea Dal Corso <dalcorso at sissa.it> wrote: > > Which version of PW are you using? If it is 3.1 or later, > > please post > > your input files. > > > > Andrea > > > > > > Quoting lan haiping <lanhaiping at gmail.com>: > > > > > Hi, All. > > > > > > I came to running crash for bands.x again, with CRASH > > information: > > > > > > * > > > > > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > > %%%%%%%%%%%%%%%% > > > task # 0 > > > from punch_band : error # 5 > > > increase maxdeg > > > > > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > > %%%%%%%%%%%%%%%% > > > * > > > Would you please help me ? Any hints would be appreciated, > > > The input file of bands.x is below : > > > > > > *&inputpp > > > prefix = "nt80" > > > outdir = "/home/haiping/tmp/" > > > filband = "bands.dat" > > > / > > > * > > > And no error occured when performing 'nscf' calculation . > > > > > > Regards. > > > > > > Hai-Ping > > > > > > > > > > > > > > > > > > > ---------------------------------------------------------------- > > SISSA Webmail https://webmail.sissa.it/ > > Powered by Horde http://www.horde.org/ > > > > _______________________________________________ > > 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 Beirut 2/4 Fax. 0039-040-3787528 > 34014 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 > -------------- next part -------------- An HTML attachment was scrubbed... URL: /pipermail/attachments/20060728/b2343a6d/attachment.htm
