> **************************************** > Dear users I am doing the phonon calculation, but in some q-point grid it did not converge till 100 iteration. Can any one tell, where to increase the number of iteration.
Thanking You, -- Swetarekha Ram, Research Scholar, Dear Swetarekha, You please add the line "alpha_mix(1)=0.1" to your phonon script and try running your script.........you may get the convergence..... Satyananda IASST Gauhati University csatya11 at gmail.com -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130326/14f07687/attachment.html
