Yambo Community Forum

Hi all,
I'm new at Yambo and willing to do GW using pwscf outputs. When I use p2y I got this error:
<---> DBs path set to .
<---> Index file set to data-file.xml
[ERROR]Error in Read pwscf version variables pwscf_current_version not present ierr: 1


Any help.

Thank you,
M. Hammouri, Ph.D.
California State University, Los Angeles

Dear M. Hammouri,
The QE input you posted is a vc-relax calculation.
once you have your relaxed structure the procedure is the following;
1) calculate the ground state (scf)
2) nscf calculatio considering a number of unoccupied states needed for the GW calculation.
In the nscf calculation you should also insert the keyword: You can find here a step by step tutorial for starting to use yambo:
http://www.yambo-code.org/wiki/index.ph ... =Tutorials

Best,

Daniele

I have done that, the scf and nscf in addition to the wf_collect and nbnd but still same error.

Dear Hammuori,
It looks you are using QE v 6.2.
The output format has changed and in this case you need to add the option
--with-p2y-version=qexsd
when configuring Yambo.
In the next release the p2y will recognize by itself the format but for the moment it is needed to set it the configure.

Best,
Daniele

Worked, thank you!