Search found 3 matches

by TheIdealis
Tue Mar 10, 2020 3:07 pm
Forum: Configuring and compiling ABINIT
Topic: Error in compiling 8.10.3 (m_polynomial_coeff) [SOLVED]
Replies: 7
Views: 12305

Re: Error in compiling 8.10.3 (m_polynomial_coeff) [SOLVED]

Hi AD8DF,

I have the same issue under arch linux. I was able to compile abinit-8.10.2 after downgrading gcc, gcc-fortran and gcc-libs to version 8.3.0-1.

Hopefully the new version will be released soon.

Regards,
Thomas
by TheIdealis
Fri Oct 18, 2019 4:56 pm
Forum: Response calculations
Topic: momentum matrix element calculation
Replies: 3
Views: 4804

Re: momentum matrix element calculation

I figured out a way, which is not the most efficient, but works out quite well. (I confirmed the results with data I got from vasp-calculations.) 1. As stated in the first post, you have to modify your abinit-code. Go to optic.f90 and add a command to print the dipole-data (pmat) after the call pmat...
by TheIdealis
Wed Sep 11, 2019 6:58 pm
Forum: Response calculations
Topic: momentum matrix element calculation
Replies: 3
Views: 4804

Re: momentum matrix element calculation

Hi Jacek,

I know that some years passed since you have asked the question, but I'm still very interested in the answer. Is there any news?