input file for tutorial 3

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hameed1987
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Joined: Sat Jun 22, 2019 12:45 pm
Location: The UK

input file for tutorial 3

Post by hameed1987 » Tue Jul 23, 2019 8:39 pm

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
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tbase3_2.in
input file for tutorial 3
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Dear All,


WR
Hameed

ebousquet
Posts: 469
Joined: Tue Apr 19, 2011 11:13 am
Location: University of Liege, Belgium

Re: input file for tutorial 3

Post by ebousquet » Thu Jul 25, 2019 11:16 am

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

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hameed1987
Posts: 41
Joined: Sat Jun 22, 2019 12:45 pm
Location: The UK

Re: input file for tutorial 3

Post by hameed1987 » Thu Jul 25, 2019 8:34 pm

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

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