I find I can not open matdyn.x correctly, it shows random characters And when I checked the mailing list, I found this thread has a similar problem.
http://www.democritos.it/pipermail/pw_forum/2012-June/024244.html In my self consistent calculation input file, I choose to use the lattice vectors rather than ibrav/celldm, is it the reason that I can not calculate the phonon frequency with matdyn.x? Chengyang ----- Original Message ----- > From: "Paolo Giannozzi" <giannozz at democritos.it> > To: "PWSCF Forum" <pw_forum at pwscf.org> > Sent: Thursday, October 11, 2012 1:42:56 AM > Subject: Re: [Pw_forum] warning message about matdyn.x > On Oct 10, 2012, at 20:17 , Chengyang Li wrote: > > > I'm confused what is NaN's, it doesn't contain ******** > > your file looks fine, so you have to find out what happened. > The error message is quite clear and explains what happens > where: > > >>> At line 658 of file matdyn.f90 (unit = 1, file = 'cr04.fc') > >>> Fortran runtime error: Bad real number in item 8 of list > >>> input > > so: go to line 658 of file matdyn.f90 and find what is read there > > P. > --- > Paolo Giannozzi, Dept of Chemistry&Physics&Environment, > Univ. Udine, via delle Scienze 208, 33100 Udine, Italy > Phone +39-0432-558216, fax +39-0432-558222 > > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum
