I do not understand your.machines file.
It is the worst possible setting you can make:
a) with a 2x2x2 k-mesh you have at most 8 k-points (or in your case 4 ??,
depending on symmetry),
so using more than 4 lines is absolute MEANINGLESS.
b) The mpi-code has to use a different
Hi All,
I am trying to run a hybrid functional calculation on a 96 atom system using
PBE0. I successfully used a PBE functional using the test machines file below
that is a hybrid k-point/MPI parallel job. While I posted a day ago about a
failure due to missing ibz fbz files when I
I think you need to be concerned about the first error:
mv: cannot stat `aCGT.vector': No such file or directory
The other errors probably just follow because of it.
What WIEN2k version are you using? I remember seeing almost the same
sequence of errors before because of how the SCRATCH
3 matches
Mail list logo
