Hi, I checked and in file a2Fq2r.51 there are no misprinted number. In line 358 of code q2r.f90 is read the variable *nstar*, which for count_q=2 takes the value nstar=3. In the next subroutine read_gamma the code expects then a series of information dimensioned 3, while actually in file a2Fq2r.51 the series is dimensioned 6. In this way, in the next count_q, the code does not find vriables deg, ef and dosscf, and then stops giving the reported error. The file a2Fq2r.51 is produced by QE, following the instructions. I hope the report is clear enough. Thanks for any suggestion,
Samantha ----------------------------------------------------- Samantha Bruzzone Dept. of Electronic Engineering Pisa University, Italy > Hi, > > Most likely, you have a misprinted number. Please have a look at > a2Fq2r.51 file > to see if there is something like NaN or ***********. > > Please also provide your affiliation. > > Bests, > Eyvaz. > ------------------------------------------------------------------- > Prof. Eyvaz Isaev, > Department of Physics, Chemistry, and Biology (IFM), Linkoping University, > Sweden > > Theoretical Physics Department, Moscow State Institute of Steel & Alloys, > Russia, > > isaev at ifm.liu.se, eyvaz_isaev at yahoo.com > > > > ----- Original Message ---- > From: "sama at ns.dcci.unipi.it" <sama at ns.dcci.unipi.it> > To: pw_forum at pwscf.org > Sent: Mon, November 29, 2010 6:49:00 PM > Subject: [Pw_forum] q2r and electron-phonon interaction > > > Hi, > > I'm trying to calculate the electron-phonon interaction for > a single graphene sheet. > I took as a reference the example 07 given in the distribution and > modified > it accordingly. > When arriving to run q2r.x, I have the following issue: > > # At line 357 of file q2r.f90 (unit = 51, file = 'a2Fq2r.51') > # Fortran runtime error: Bad real number in item 1 of list input > > Of course, this error does not display when I set la2F=.false. in file > q2r.in. > > Any suggestion? > > Samantha > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum >