Dear All,
Hope you all have a good time
I did tutorial 3, the case of Starting the convergence study with respect to k-points, but it gave an error. I attached the input file for the tutorial. The error is shown as below. Please help me to solve the problem. I followed the steps as shown in website tutorial 3
--- !BUG
src_file: getkgrid.F90
src_line: 454
mpi_rank: 1
message: |
The argument nkpt= 2, does not match
the number of k points generated by kptopt, kptrlatt, shiftk,
and the eventual symmetries, that is, nkpt= 10.
However, note that it might be due to the user,
if nkpt is explicitely defined in the input file.
In this case, please check your input file.
Regards
Hameed
input file for tutorial 3
Moderator: bguster
- hameed1987
- Posts: 41
- Joined: Sat Jun 22, 2019 12:45 pm
- Location: The UK
input file for tutorial 3
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- tbase3_2.in
- input file for tutorial 3
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Dear All,
WR
Hameed
WR
Hameed
Re: input file for tutorial 3
Dear Hameed,
Are you sure to read the tutorial page https://docs.abinit.org/tutorial/base3/? This error message is part of the tuto, please read it all along while running your calculations.
Cheers,
Eric
Are you sure to read the tutorial page https://docs.abinit.org/tutorial/base3/? This error message is part of the tuto, please read it all along while running your calculations.
Cheers,
Eric
- hameed1987
- Posts: 41
- Joined: Sat Jun 22, 2019 12:45 pm
- Location: The UK
Re: input file for tutorial 3
ebousquet wrote:Dear Hameed,
Are you sure to read the tutorial page https://docs.abinit.org/tutorial/base3/? This error message is part of the tuto, please read it all along while running your calculations.
Cheers,
Eric
Dear Eric,
Thanks for the response. I have read the tutorial, and I saw the massage error, but I thought of that how to slove the problem.
Also, I suffer from making an input file for a ternary compound. Could you please advise how to arrange it. The first step what should I do?
Your help is highly appreciated in advance.
Thanks
Hameed
Dear All,
WR
Hameed
WR
Hameed