ABINIT Discussion Forums

Sir
I am trying to run band structure calculations by giving my own kpts (with commands nkpt and kpt)

But the log file shows error saying that

The argument nkpt = 21 does not match
The no. K points generated by kptopt, kptrlatt, shiftk and the eventual symmetries, that is, nkpt=6
However, note that it might be due to the user, if nkpt is explicitly defined in the input file. In this case, please check your input file.
Action : contact About group.


Please advice what other commands to be included or excluded to run the band St. Job with my own kpts.

Ashish

Have you read the tutorial on how to compute the band structure of silicon ?
Read about kptop=-3, ndivk and nkptbounds

Jordan