[Wien] Error in Parallel HF
AL RAHAL AL ORABI, Rabih
rabih.orabi at solvay.com
Wed Aug 2 11:14:04 CEST 2017
Dear Prof Blaha and Wien2k Users,
I am trying to do a fuul Hybrid calculation for CeO2 (cause i did not find
an accurate band gap with mBJ functional). When i did my calculation follow
the user guide for B3LYP or B3PW91 option. I always got this error when
start hf -model -p (** Error in Parallel HF ** testerror: Error in
Parallel HF)
I dont understant how it can be a problem in parallel mode since the Lapw0
-grr -p , lapw1 -p and lapw2 -p where done in parallel mode.
Can someone explain to me what is the problem here ?
Thank you very much
Best
Rabih
*Cordialement,*
*Rabih AL RAHAL AL ORABI , PhD*
* R&I Scientist*
*Design and Development of Functional Materials Department *
*Research & Innovation Center of Paris, Modeling Energy Conversion
Materials*
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*email : rabih.orabi at solvay.com <rabih.orabi at solvay.com>*
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