[Wien] Error in Parallel HF

tran at theochem.tuwien.ac.at tran at theochem.tuwien.ac.at
Mon Oct 21 08:07:23 CEST 2019


Hi,

If you followed the steps on page 55 of the user's guide
(the three "mv" and "run_kgenhf_lapw"), then it should work.
Otherwise, it means that you made a mistake.
Did you follow these steps correctly?

F. Tran

On Monday 2019-10-21 01:20, Peeyush kumar kamlesh wrote:

>Date: Mon, 21 Oct 2019 01:20:02
>From: Peeyush kumar kamlesh <peeyush.physik.rku at gmail.com>
>Reply-To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
>To: wien-request at zeus.theochem.tuwien.ac.at, wien at 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. 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 -newklist -i 1 -p
>hup: Command not found.
> LAPW0 END
> LAPW0 END
> LAPW1 END
> LAPW1 END
> LAPW1 END
> LAPW1 END
>LAPW2 - FERMI; weights written
> LAPW2 END
> LAPW2 END
> LAPW2 END
> LAPW2 END
> SUMPARA END
> CORE  END
>error in read_cnk: wrong case.vectorhf_old
>error in read_cnk: wrong case.vectorhf_old
>error in read_cnk: wrong case.vectorhf_old
>error in read_cnk: wrong case.vectorhf_old
>
>>   stop error
>
>Kindly guide me.
>
>


More information about the Wien mailing list