[Pw_forum] time for calculation of el-ph interactions of graphene supercell

Lorenzo Paulatto paulatto at sissa.it
Tue Sep 9 11:06:41 CEST 2008


L.F.Huang ha scritto:
> Does "wf_collect=.true." is related with the calculation of EPC ? I have
> read throug some documents for inputs, but can not find that relation.
> Could you please teach how to use "wf_collect=.true." in the calculations
> of el-ph interaction? Or could please you tell me some examples?
The option only affect parallel runs, it instructs the code to recollect 
the wavefunction files from all the processor pools in a single 
directory, as if the calculation was run with only one pool. It has no 
specific relationship with el-ph calculations. I don't know if el-ph has 
been implemented with pools parallelizations, but if it hasn't you can 
still use pools in the scf calculation using the wf_collect option.

regards


-- 
Lorenzo Paulatto
SISSA  &  DEMOCRITOS (Trieste)
phone: +39 040 3787 511
skype: paulatz
www:   http://people.sissa.it/~paulatto/




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