Dear all, I was calculating the phonon DOS of a 4-atom triclinic cell. I got the force constant file (nb222.fc) from q2r.x, as attached. But when I was trying to use matdyn.x to get phonon DOS, an error message showed up:
forrtl: severe (64): input conversion error, unit 1, file (...my filepath...)/nb222.fc This didn't happen for my 1-atom BCC cell calculations. Does this problem have to do with number of atoms or cell shape? Your ideas are appreciated. Thank you. Sincerely, Jiayi Yan -- Jiayi Yan Graduate student, Dept. of Materials Science & Engineering Northwestern University 2220 Campus Dr, Cook Hall 2032 Evanston, Illinois 60208-3108, U.S.A -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130302/72b383db/attachment.html -------------- next part -------------- A non-text attachment was scrubbed... Name: nb222.fc Type: application/octet-stream Size: 40970 bytes Desc: not available Url : http://pwscf.org/pipermail/pw_forum/attachments/20130302/72b383db/attachment.obj -------------- next part -------------- A non-text attachment was scrubbed... Name: phdos.in Type: application/octet-stream Size: 121 bytes Desc: not available Url : http://pwscf.org/pipermail/pw_forum/attachments/20130302/72b383db/attachment-0001.obj
