wangqj1 wrote: > > Dear pwscf users > When I relaxed the suppercell used pw.x ,it displayed "Cannot match > namelist object name ZnO",but scf calculation ends well with all the scf > outputs .I used version 4.0.3 . So I want to know whether the hint > affect the result or not ? Whether there is no need to worry about this ?
If you feed a wrong input to pwscf your calculation may end successfully but actually compute something different from what you have in mind. So it is always important to understand all the warnings/error from the input parser, since they signal some error in the input file. Please either provide your input file or figure out by yourself why you get that warning (most probably you placed a string in the wrong place). There is a detailed description of input keywords in Doc/INPUT_PW.txt and plenty of examples in examples/ and tests/ directories GS > Thanks for your help ! > Sincerely > Q J Wang > XiangTan University > > > > ------------------------------------------------------------------------ > 200????,????,????? > <http://count.mail.163.com/redirect/footer.htm?f=http://gouwu.youdao.com> > > > ------------------------------------------------------------------------ > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum -- o ------------------------------------------------ o | Gabriele Sclauzero, PhD Student | | c/o: SISSA & CNR-INFM Democritos, | | via Beirut 2-4, 34014 Trieste (Italy) | | email: sclauzer at sissa.it | | phone: +39 040 3787 511 | | skype: gurlonotturno | o ------------------------------------------------ o
