Re: [Wien] qtl printed output issue

2023-02-03 Thread Peter Blaha
I guess I know what happens: In WIEN2k_23 when you execute x qtl we run firstx lapw2 -fermi -qtl (-so) before actually the qtl program is executed, because we want to make sure that the qtl program uses consistent *scf2 and *weight files (for instance when you changed to a denser

[Wien] qtl printed output issue

2023-02-03 Thread pluto via Wien
Dear All, When running "x qtl" I am getting an error message printed in Wien 23.1 edition, see below. I tested this in couple of different test cases, with and without FM and SOC, always the same error. It seems this error message does not affect anything. The case.qtl file is created, and