Search found 2 matches

by zhiwu
Mon Aug 17, 2020 5:31 pm
Forum: Other tools and postprocessing in ABINIT
Topic: anaddb is extremely slow for phonon interpolation
Replies: 2
Views: 9073

Re: anaddb is extremely slow for phonon interpolation

I solved the issue.

Should not do electric field perturbation for a metal (NiTi) at the gamma q-point.
by zhiwu
Sun Aug 16, 2020 5:55 pm
Forum: Other tools and postprocessing in ABINIT
Topic: anaddb is extremely slow for phonon interpolation
Replies: 2
Views: 9073

anaddb is extremely slow for phonon interpolation

I am using PAW and DFPT to carry out phonon band structure calculations for NiTi in B2 symmetry. See the attached file. The attached file shall be niti.tar. But .tar extension is not allowed (why?) and I changed its name to niti.in, which contains the DDB (combined) and the input files. The problem ...