input file for tutorial 3
Posted: 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
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