ABINIT Discussion Forums

The error with icutcoul=0 is not due to an impossibility to do it.
It is related to an error with the setup of the mesh and the FFT box.
Could you try to play a bit with ecuteps/ecutsigx parameters depending whether you are in the screening or sigma part ?

Yannick

Dear hammouri, Occopt = 7 will allow you to have metallic occupations, but it won't help to run BSE... Could you check the occupation numbers of your calculations ? If you have metallic occupations or bands with different occupations, you won't be able to run BSE. If you try to simulate a wide band ...

Dear roginovicci, The Coulomb cutoff for surfaces is still under development. The treatment of the q->0 limit will be available in the forthcoming release version. Anyway, if you want to use it (no garantee about the results) in the present version, you will need to set qpoints for the long waveleng...

Dear acl06, Following the error message, evince fails to render your eps image. Could you try another software to open your eps ? Inkscape, or "display" might do it. If it still doesn't work, could you upload the files needed by band2eps as well as your eps, so that we can reproduce your p...

Hello !

Could you check whether the number of bands indicated in the *dbs file is correct ?

Best regards

Yannick

Dear moones,

You can simply create an empty file at this path : $HOME/.abinit/abipy/abipyrc

Otherwise, in this file, you can specify several configuration options for Abipy. If you want to know more, please refer to the Abipy project.

Thanks for using the GUI

Yannick

Hello Yann, Thank you for your answer. I've just tried but the error is still the same. As mentioned in the link of your reply, there is a conflict between the "-lmpi" and "-mt_mpi"... However, the "-lmpi" option comes from the build system into the ${LIBS} variable : L...

Good afternoon, I'm trying to compile Abinit with Intel MPI (on top of cluster studio 2013) and OpenMP. However, during the configuration stage, I got the following error : configure:30888: checking whether the Fortran Compiler supports MPI configure:31148: mpiifort -o conftest -g -extend-source -ve...