After running bandstructure I have run following commands in terminal to
prepare a new k-mesh and Get following error
peeyush@Peeyush-PC:~/WIEN2k/case$ mv case.klist_fbz case.klist_fbz_old
peeyush@Peeyush-PC:~/WIEN2k/case$ mv case.klist_ibz case.klist_ibz_old
peeyush@Peeyush-PC:~/WIEN2k/case$
Without knowing more detail it is difficult to help you.
Write the commands that you entered in the terminal.
On Monday 2019-10-21 08:29, Peeyush kumar kamlesh wrote:
Date: Mon, 21 Oct 2019 08:29:38
From: Peeyush kumar kamlesh
Reply-To: A Mailing list for WIEN2k users
To:
Yes Sir, I did all these three steps quite well.
Regards
Peeyush Kumar Kamlesh
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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
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
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