Sir,
I calculated bandstructure bu using less number of k point with hf
potentials. to calculate other properties I created a new k-mesh by the
procedure given in user guide (page No-55), Then run the following command
and get error in "hf error" file: *Error in Parallel HF*
run_lapw -hf
te: Mon, 21 Oct 2019 01:20:02
From: Peeyush kumar kamlesh
Reply-To: A Mailing list for WIEN2k users
To: wien-requ...@zeus.theochem.tuwien.ac.at, wien@zeus.theochem.tuwien.ac.at
Subject: [Wien] Error in Parallel HF
Sir,
I calculated bandstructure bu using less number of k point with hf potentials.
Sir,
I calculated bandstructure bu using less number of k point with hf
potentials. to calculate other properties I created a new k-mesh by the
procedure given in user guide (page No-55), Then run the following command
and get error in "hf error" file: *Error in Parallel HF*
run_lapw -hf
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.or...@solvay.com>
>> Reply-To: A Mailing list for WIEN2k users <w...@zeus.theochem.tuwien.ac.
>> at>
>> T
:14:04
From: "AL RAHAL AL ORABI, Rabih" <rabih.or...@solvay.com>
Reply-To: A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at>
To: wien@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
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
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