ABINIT Discussion Forums

Hello All,
I am trying the tutorial of BSE, but when I run tbs_2.in I got this error:

--- !ERROR
message: |
Fortran open returned iostat 29 while opening: tbs_2i_WFK
, IOMSG: file not found, unit 1024, file /home/abinit/BSE-Si-test/tbs_2i_WFK
src_file: Subroutine Unknown
src_line: 0

Any idea please?

The new version of the GW/BSE code does not use the KSS file anymore.
The wavefunctions and the energies are always obtained from the WFK file.
This means that you have to create a link to the WKF file produced by tbs_1:
So use,

ln -s tbs_1o_DS3_WFK tbs_2i_WFK

instead of the old command:

ln -s tbs_1o_DS3_KSS tbs_2i_KSS

You can still run the BSE tutorial as described on the webpage, provided you replace
the KSS file extension with WFK in all linux commands used to create symbolic links.

Thank you gmatteo,
It works fine now. This modification should be mention somewhere so everyone can get help.

so I just noticed something;
in the second run of the input file of tbs_2.in, it is mention this:
irdscr 1 # Read the SCR file produced in tbse_1
so do I need to make it
irdwfk 1 # Read the WFK file produced in tbse_1