[Pw_forum] MPI error and wf_collect

[Paolo Giannozzi]

On Jun 1, 2007, at 17:22 , Cyrille Barreteau wrote:

> Moreover I thought that everything should be put in a single file
> when wf_collect=.true.

wf_collect=.true. collects Kohn-Sham orbitals for each k-point
into a single file, but there is a file per k-point (stored into the
K*****/ directories). Everything you need is in the .save/ directory.

> In case of wf_collect=.true. I got the following files:
> *.igk_nproc *.wfc_nproc files
> and *.save directory which contains  K*****(number of Kpoints)  
> directories

_nproc = _1, _2, _3, ..., or _nproc = _nproc ? I cannot find any place
in the code where such files are written.

Paolo
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Paolo Giannozzi, Democritos and University of Udine, Italy