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" <[email protected]> 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
