Search found 4 matches

by Bibek Samal
Thu Nov 28, 2019 6:07 pm
Forum: Ground state
Topic: smearing for projected dos on angular momentum channels
Replies: 4
Views: 4747

Re: smearing for projected dos on angular momentum channels

I also having same problems, along with that the numbers I am getting in y-axis for both in total dos and atomic contributions are substantially different. Why is that ?
by Bibek Samal
Thu Nov 28, 2019 9:56 am
Forum: Other tools and postprocessing in ABINIT
Topic: DOS plot
Replies: 1
Views: 6864

DOS plot

Hi I am trying to generate the DOS using prtdos 3 and HGH psedopotential but in the plot for Si when I added the the individual contributions of two Si atoms inside the unit cell (in the abinit test file for Si) I could not get the same plot as that of Total DOS. Later in the atomic plots I multipli...
by Bibek Samal
Thu Nov 28, 2019 9:47 am
Forum: Many-body perturbation theory
Topic: Segmentation fault
Replies: 2
Views: 7495

Re: Segmentation fault

Thanks for your reply. By playing with those parameters I have completed the GW calculation successfully.
by Bibek Samal
Fri Nov 08, 2019 10:39 am
Forum: Many-body perturbation theory
Topic: Segmentation fault
Replies: 2
Views: 7495

Segmentation fault

Hi, I am using abinit since July. have abinit -8.10.3 which I compiled using both parallel build and without parallel build. For parallel build I used ifort. During compilation all the make tests failed but other parts were okay. Later I started running parallel calculation using this version, all t...