Search found 3 matches
- Mon Oct 12, 2020 1:24 pm
- Forum: Configuring and compiling ABINIT
- Topic: Compatible PLASMA Version w/ ABINIT 8.10.3 [SOLVED]
- Replies: 3
- Views: 4807
Re: Compatible PLASMA Version w/ ABINIT 8.10.3 [SOLVED]
Hi all, Thank you for your reply, Eric - apologies for not being clearer. I have resolved this issue. My problem was that I was not using the right environment variables when building the library (no plasma.mod file was created), then linking the static libraries in the correct order. For anyone int...
- Wed Sep 23, 2020 1:39 pm
- Forum: Configuring and compiling ABINIT
- Topic: Compatible PLASMA Version w/ ABINIT 8.10.3 [SOLVED]
- Replies: 3
- Views: 4807
Compatible PLASMA Version w/ ABINIT 8.10.3 [SOLVED]
Hi all,
I've been trying to configure ABINIT with the PLASMA library - using the most recent version from their bitbucket - although ABINIT does not recognise the library. What is the current version compatible with ABINIT 8.10.3?
Many thanks!
I've been trying to configure ABINIT with the PLASMA library - using the most recent version from their bitbucket - although ABINIT does not recognise the library. What is the current version compatible with ABINIT 8.10.3?
Many thanks!
- Wed Jul 29, 2020 2:58 pm
- Forum: Ground state
- Topic: Plane Wave Decomposition of High Energy Orbtial
- Replies: 0
- Views: 3617
Plane Wave Decomposition of High Energy Orbtial
Hi all, I'm trying to do a plane wave decomposition of a high energy orbital of Mg at T=20eV. My cut-off energy is 150 Ha (pawecutdg = 300 Ha) and 400 bands. I would like to plot the probability for each plane wave that makes up the orbital's wave function against their energy. I've tried to do this...