Dear Nazari, This is well known (and OLD) error, if you search the forum archive. Please take time to learn from the archive why this happens. Or see Troubleshooting in User Guides in /Doc. You will be surprised how many reasons there are for this error. And see possible solution.
Please also give correct Subject for your message, as the error is not connected to any alloy calculation. 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 ________________________________ From: "nazari at iasbs.ac.ir" <[email protected]> To: PWSCF Forum <pw_forum at pwscf.org> Sent: Wed, December 8, 2010 9:55:44 AM Subject: Re: [Pw_forum] band_structure_alloys Check the nbnd. > Hello all, I want to calculate band structure of Gax(In1-x)As, (x =0.25, > 0.50, 0.75) for x =0.25 I have done it, but the others the program don t > work, and it give us following result; > > c_bands:2 eigenvalues not converged > > &&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&& > from cdiaghg : error# 91 > diagonalization (ZHEGV*) failed > &&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&& > > I have never run into like this problem. > > What can I do, I don t know, If you help me it will be very very good. > > Thanks a lot >___________________________________________________________________________________________ >_ > > > Bu e-posta, SA? CAWIS WebMail kullan?larak g?nderilmi?tir : > http://www.mail.sakarya.edu.tr/ > Sakarya ?niversitesi ile ilgili bilgi, haber ve duyurular i?in : > http://www.sakarya.edu.tr/ >___________________________________________________________________________________________ >_ > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -- > This message has been scanned for viruses and > dangerous content by MailScanner, and is > believed to be clean. > > -- This message has been scanned for viruses and dangerous content by MailScanner, and is believed to be clean. -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20101208/6030d7d3/attachment.htm
