[Pw_forum] question on parallelism on bands

[pascal boulet]

Dear all,

I have to run calculations on a rather big system: 35.9x35.9x71.8 bohr, 
384 atoms, 1280 bands and few k-points (at most 6). I would like to 
parallelize the calculations on the bands but I am not familiar with this.

I have up to 50x12=600 procs at disposal. I envisage to use 144 procs 
and the following options for pw.x:
-bands 12 -ntg 12 -ndiag 64

Would you say these are more or less adequate parameters ?

Thank you for your help,
Pascal

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