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

Eyvaz Isaev eyvaz_isaev at yahoo.com
Mon Sep 1 18:21:50 CEST 2003


Dear Sergei,

I have calculated phonons for Ge at the (0,0.1,0.1)
point and have no problem. 
Just some comments. I am stiil using the 1.1.0 version
(I am too lazy to edit my input files).
Besides I used the lattice parameter
10.69585a.u.=5.66Ang which is experimental value (see
Ashcroft, Mermin) instead of 10.626a.u. you used.
I am using AMD/Athlon CPU and self-made LAPACK and
ATLAS libraries. 
So, please pay attention to your configuration (say,
the MKL library) and try LAPACK and BLAS instead MKL. 

Eyvaz.



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