Hi,
I came across the same compilation problem as iberezk7. This is caused by some defects in Magma 1.3.0 .
You may refer to this post to find the solution: http://icl.cs.utk.edu/magma/forum/viewt ... ?f=2&t=789
Best regards,
Agnxy
Search found 6 matches
- Wed May 22, 2013 8:08 am
- Forum: Configuring and compiling ABINIT
- Topic: ABINIT 7.2.1 + CUDA + MAGMA [SOLVED]
- Replies: 5
- Views: 13863
- Wed Jul 11, 2012 1:59 pm
- Forum: Ground state
- Topic: BSE code does not support metals
- Replies: 1
- Views: 1828
Re: BSE code does not support metals
Dear All Abinit does not support metals, which my system is CuBO_2 (copper boron dioxides). How can I solve this broblem Thanks Abdulmutta Hi all, I recently came across the same problem when I studied optical properties of C3N4. It shows metallic behavior in DFT-LDA, but actually turns out to be s...
- Mon Mar 26, 2012 10:01 am
- Forum: Many-body perturbation theory
- Topic: bs_calctype and soenergy
- Replies: 6
- Views: 7276
Re: bs_calctype and soenergy
Hi all,
It seems that I made some mistake in my previous calculation. When running BSE with bs_calctype=2, the QP energies are obtained from a __in.gw__ file and the k-points in BSE and GW calculation must be consistent, otherwise the QP energies can not be used correctly.
It seems that I made some mistake in my previous calculation. When running BSE with bs_calctype=2, the QP energies are obtained from a __in.gw__ file and the k-points in BSE and GW calculation must be consistent, otherwise the QP energies can not be used correctly.
- Thu Feb 23, 2012 8:19 am
- Forum: Many-body perturbation theory
- Topic: bs_calctype and soenergy
- Replies: 6
- Views: 7276
Re: bs_calctype and soenergy
Hi All, I also have the similar question as Saniz mentioned. I'm using abinit-6.10.3 and performing some tests on BSE. I note that if I set bs_calctype=2 to use the _GW file from one-shot GW calculation as the Input and set soenergy=0 eV, the output spectrum has a red shift compared with the case us...
- Fri Dec 16, 2011 7:49 am
- Forum: Ground state
- Topic: Unusual LDA eigenvalue when using parallel version of ABINIT
- Replies: 1
- Views: 2062
Re: Unusual LDA eigenvalue when using parallel version of AB
Recently I solve this problem by eliminating the input variable "nbdblock". I'm not sure about the root cause. Just FYI.
- Mon Mar 07, 2011 7:20 am
- Forum: Ground state
- Topic: Unusual LDA eigenvalue when using parallel version of ABINIT
- Replies: 1
- Views: 2062
Unusual LDA eigenvalue when using parallel version of ABINIT
Hi All, I'm still a rookie for ABINIT and I'm now working on band structure calculation of graphitic carbon nitride. When I moved on to the step of the LDA band structure, I tried to use the parallel version to accelerate my calculation. Unfortunately I got a strange result compared with the one wit...