KPOINTS_OPT_NKBATCH not taken into account
Posted: Thu Aug 22, 2024 8:39 am
Hi,
I was running hybrid functional band structure calculations (using the KPOINTS_OPT method) when I discovered that despite what the wiki is saying, the parameter KPOINTS_OPT_NKBATCH is not read by VASP.
Despite the line "kpoints_opt_nkbatch = 72", the calculation is still done in batches of 12 kpoints.
You will find attached my files.
Best regards,
JF
I was running hybrid functional band structure calculations (using the KPOINTS_OPT method) when I discovered that despite what the wiki is saying, the parameter KPOINTS_OPT_NKBATCH is not read by VASP.
Despite the line "kpoints_opt_nkbatch = 72", the calculation is still done in batches of 12 kpoints.
You will find attached my files.
Best regards,
JF