[Pw_forum] convergence

bhabya sahoo bdslipun at gmail.com
Fri Oct 21 20:09:26 CEST 2011


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
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