[Wien] band in Hybrid functunal sumhfpara'

ali ghafari aaghafari at yahoo.com
Tue Nov 12 18:06:16 CET 2013


Dear Prof. Blaha
I'm calculating the band structure by hybrid functional B3LYP. for polting band structure as discussed on page 53 of UG, we should run "run_bandplothf_lapw -p" which will takes about two weeks for a structure with 2 atoms. 

 I see, 

  lapw1 -band -p
  hf -band -p
  sumhfpara -band -d

my question is: why 'sumhfpara' can not run on parallel? 
Best Regards
Ali
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