[Wien] Error in Parallel HF

[tran at theochem.tuwien.ac.at]

It's difficult to help you without more information.
Did you execute init_hf_lapw?
Did you increase EMAX in case.in1 to a larger value?
What is error message on your screen when the calculation stops?

FT

On Wednesday 2017-08-02 11:14, AL RAHAL AL ORABI, Rabih wrote:

>Date: Wed, 2 Aug 2017 11:14:04
>From: "AL RAHAL AL ORABI, Rabih" <rabih.orabi at solvay.com>
>Reply-To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
>To: wien at zeus.theochem.tuwien.ac.at
>Subject: [Wien] Error in Parallel HF
>
>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
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