[Pw_forum] scf-convergence
asa aravindh
asaaravindh at yahoo.co.in
Mon Oct 13 13:28:30 CEST 2008
Dear all..
I am trying to do scf calculation of an fe/co nanowire along the bcc (110) direction.
However the calculation is not getting converged..after even 100 iterations.. the scf accuarcy is not reached and suddenly the program stops ...
can anybody pls tell me if anything is wrong with my input file...
the input file is attached
any reply would be greatly appreciated
regards,
asa
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