[Pw_forum] Using q point parallelization

Huiqun Zhou hqzhou at nju.edu.cn
Mon May 11 12:12:54 CEST 2009


Hi, list users,

I'm trying the manual q-point parallelization and have one
question to confirm. In the additional information section 
of INPUT_PH.html of 4.1 cvs, it indicates that after running 
different subset of irrs or qs on each machine, one need to 
"collect all the data-file.xml.#ip.#irr files in one directory 
and run ph.x." My question is why one needs to run ph.x again 
instead of using q2r directly to calculate FC. If this is 
neccessary, what changes should be made in the input file.

Thanks in advance!

Huiqun Zhou
@Earth Sciences, Nanjing University, China 


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