[Pw_forum] How is the eigenvectors stored in the parallel version?
willy kohn
willykohn at gmail.com
Fri Sep 12 08:16:45 CEST 2008
Dear PWSCF users:
I'm trying to write all the eigenvectors into a file for further analysis. I
found they are stored in evc , but got confused for the partition format in
the parallel version (v4.0.1). Each cpu seems get only the eigenvectors on a
subset of the "global" G space, and all the cpus have all the kpoints. I'm
really puzzled by the way the evc stored in each cpu. My question is: Do I
need to collect evc's from all the cpu's in order to get a eigenvector for a
perticular k and perticular band? If yes, how?
Best,
Wei
Georgia Tech
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