It is useful to reduce the "alpha_mix(1)" value. Default value is 0.7. You can use 0.1. It will converge...........
On Fri, May 31, 2013 at 7:56 AM, Sanjeev Gupta <physics.skgupta at gmail.com>wrote: > It is common problem, please try to look FAQ from the website. > Further, one possible help to use alpha_mix and nmix_ph, may solve your > problem. > > Bests > S > > > On Thu, May 30, 2013 at 6:45 PM, <moonfine at mail.sdu.edu.cn> wrote: > >> Dear all, >> I am doing phonon calculation. >> and it ends with error "No convergence has been achieved " >> >> " End of self-consistent calculation >> >> No convergence has been achieved >> " >> >> How can I solve it? Any suggestion will be apprecieted. >> >> _______________________________________________ >> Pw_forum mailing list >> Pw_forum at pwscf.org >> http://pwscf.org/mailman/listinfo/pw_forum >> > > > > -- > With Best Regards, > > ------------------------------------ > Dr. Sanjeev Kumar Gupta > Fulbright Post-Doctoral Scholar > Dept. of Physics > Michigan Technological University > 1400 Townsend Drive, Houghton > MI 49931, USA > ------------------------------------ > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130531/295bbd5c/attachment.html
