[gpaw-users] get parallel hamiltonian

[Torsten Hahn]

Am 26.10.2012 um 23:38 schrieb Ask Hjorth Larsen <asklarsen at gmail.com>:

> 2012/10/26 Ask Hjorth Larsen <asklarsen at gmail.com>:
> (...)
>> 
>> For each s and k, do:
>> 
>> Hfull_MM = calc.wfs.ksl.mmdescriptor.collect_on_master(H_MM)
>> 
>> ksl is the "Kohn-Sham layout", representing the parallelization of KS states.
>> 
>> mmdescriptor is a matrix descriptor (from gpaw/blacs.py) describing
>> the blocked ("mm" rather than "MM") layout of the Hamiltonian.
>> 
>> Regards
>> Ask
> 
> (I write this partially from memory so if something goes wrong, some
> tinkering may be required)


thx, it worked just fine.