i have used the espresso file which is given i want to convergence it but it is not converging after many itteration also i have incresed nstep and eletron step to high nothing results
the input file is the input file for uspex code where kpoints and positions are written by itself the eroor is that force convergence is not achived the file is given b d sahoo reserch scholar -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20111021/a0e5c16d/attachment-0001.htm -------------- next part -------------- A non-text attachment was scrubbed... Name: bds.docx Type: application/vnd.openxmlformats-officedocument.wordprocessingml.document Size: 13509 bytes Desc: not available Url : http://www.democritos.it/pipermail/pw_forum/attachments/20111021/a0e5c16d/attachment-0001.bin
