ABINIT Discussion Forums

Thanks for the reply Luca. I am looking at metals and metal-insulator transitions, so it would be good to know if the screening file (calculated using the contour deformation method: optdriver=3, gwcalctyp=2) already does contain intraband contributions. Are you able to confirm it does contain intra...

Hello, I've noticed that during a contour deformation screening calculation, prior to a GW calculation, the files containing the dielectric function *_EM1_LF and *_EM1_NLF don't appear to contain intraband contributions. It looks like calculating the intraband contribution is forcefully disabled in ...

Ok, many thanks gmatteo!

Hi All, I am attempting to perform ecut convergence tests for a system at finite temperature requiring a (relatively) large number of bands. I've noticed that when I go to run the code in parallel I find error messages of the form: --- !WARNING message: | Number of bands mband 1024 > number of plane...