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

[ma Yanming]

Dear Sergey,

Thanks again for your MKL6.0

>  One reamrk probubly is important here: the runs for [0qq] took much
>  nore time per point then runs for points on [q00].

There are six phonon branches in phonon disperson for Ge. Due to the high 
symmetry along [q00] direction, two TA branches degenerate, two TO branches 
degenerate, plus LA and LO, so along this direction, PWSCF only calculates 
four phonon values for individual K points. Due to the low symmetry along 
[0qq] direction, six phonon branches totall split, in this case PWSCF will 
calculate all six phonon values. Also it will take longer time to calculate 
individual phonon value with lower symmetry k point. This is the reason why 
the runs for [0qq] took much
more time per point then runs for points on [q00].

Yanming Ma

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