[Pw_forum] Germanuim [0qq] problem ....

sprokuda at dnk.ru sprokuda at dnk.ru
Mon Sep 1 16:08:11 CEST 2003


Dear Paolo!
The scripts for Si I took exactly from examples to PWscf, that is why
I'm wondering at so big difference in results. Nevertheless Ge is not
Si, and probably the energy cuttoff of k-grid mush be changed for Ge
in comparison to Si?
And ,you see, I have error of the same type running the examples in phonon single mode
calculations.

Best wishes, Sergey Prokudaylo.





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