[Wien] about effective mass

[Rubel, Oleg]

SCRATCH is a good point. The Si tutorail assumed that that vector files are in the same folder as the WIEN2k case. To make it error-proof I added in the begining

# SCRATCH setting will ensure that vector files are in the case folder
export SCRATCH=./

to the tutorial script at https://github.com/rubel75/mstar/wiki/Tutorial-Si-with-SOC-(WIEN2k)

Thank you
Oleg

________________________________________
From: Wien <wien-bounces at zeus.theochem.tuwien.ac.at> on behalf of Peter Blaha <pblaha at theochem.tuwien.ac.at>
Sent: Thursday, March 18, 2021 10:10
To: wien at zeus.theochem.tuwien.ac.at
Subject: Re: [Wien] about effective mass

Another possibility:

You have a very funny   SCRATCH  variable:

/home/wien2k/jobs_w2/scratch/Si.vectorsoup

Maybe there is something wrong. ?

echo $SCRATCH
cat *lapwso.def
cat *optic.def

Compare the case.vectorso   lines.

After   lapwso the vector files should be where it says in the def file.

-----------------
Is this from a batch job, and you are using some local SCRATCH ???
Then the vector files in $SCRATCH  are probably not available anymore
once the job has finished.
-------------------

But all this are some hints, which can be totally wrong, since you are
not telling us any details.