[Pw_forum] convergence of relaxation caculation
meisam_a84 at yahoo.com
Fri Aug 1 10:03:22 CEST 2008
I didn’t change any parameters and they are in default mode. I used automatic meshing BZ,1*1*8.also I have not fixed any position. in output , after 5 scf cycles the system doesn’t converge. I think if I disrupt the position it would converge but I don’t know how I could make this system converge.
Thanks for your attention.
Msc student, physics department of Kashan university
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