transition state core-level shifts

[marko]

Hi All,

I would like to ask, is it possible to calculate core-level shifts in the transition state model by VASP by transfering 0.5 electrons from the core to the valence. I have tried this by ICORELEVEL=2, but the program stops just before converging with an announcement:

'PGFIO-F-235/formatted write/unit=6/edit descriptor does not match item type.
File name = stdout formatted, sequential access record = 5
In source file cl_shift.f, at line number 757
srun: error: c185: task1: Exited with exit code 127
srun: Terminating job'

Thank you!