Search found 4 matches
- Thu Nov 28, 2019 6:07 pm
- Forum: Ground state
- Topic: smearing for projected dos on angular momentum channels
- Replies: 4
- Views: 5153
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 ?
- Thu Nov 28, 2019 9:56 am
- Forum: Other tools and postprocessing in ABINIT
- Topic: DOS plot
- Replies: 1
- Views: 8446
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...
- Thu Nov 28, 2019 9:47 am
- Forum: Many-body perturbation theory
- Topic: Segmentation fault
- Replies: 2
- Views: 9184
Re: Segmentation fault
Thanks for your reply. By playing with those parameters I have completed the GW calculation successfully.
- Fri Nov 08, 2019 10:39 am
- Forum: Many-body perturbation theory
- Topic: Segmentation fault
- Replies: 2
- Views: 9184
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...