[Wien] Cohesive energy

BIN AMIN KHAN binaminkhan at gmail.com
Mon Jul 13 07:36:19 CEST 2009


Sir
I run scf cycle for calculation of cohesive energy.
When i run scf cycle for single atom and make the structure file according
to your's the the energy are not converging. I full-fill all the conditions
you give and do all the changes but energy are not convergrnt.
So give me any suggestion sir.
Thank


binaminkhan
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