Dear ABINIT developers,
I wonder that the computation for band structures along symmetry lines using HSE is available now? Thank you so much.
Best regards,
Viet-Anh
Search found 3 matches
- Thu Feb 28, 2019 3:15 pm
- Forum: Ground state
- Topic: Band structure along symmetry lines using HSE functional
- Replies: 2
- Views: 2644
- Thu Feb 28, 2019 4:18 am
- Forum: Ground state
- Topic: rprim and spacegroup [SOLVED]
- Replies: 5
- Views: 4713
Re: rprim and spacegroup [SOLVED]
Hi Elia, Have you tried to use python-based tool named abipy https://github.com/abinit/abipy . When it is installed, if you are in a terminal (e.g. in Linux), simply use command ``abiopen.py + name of file'' you want to extract information. This will lead you to an ipython-environment with an object...
- Tue Sep 19, 2017 4:51 pm
- Forum: Ground state
- Topic: problem with abinit 8.4.2
- Replies: 1
- Views: 1750
Re: problem with abinit 8.4.2
Hi, I am wondering that the file ./abstuff/to_HIST.nc already existed before you ran your relaxation. If this was generated before, abinit would try to read some data from there. Could you try to delete it and rerun again your calculation? For me, I am using abinit 8.4.3. After installing, I test it...