Search found 3 matches

by tdaworld
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: 3895

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...
by tdaworld
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: 3895

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!
by tdaworld
Wed Jul 29, 2020 2:58 pm
Forum: Ground state
Topic: Plane Wave Decomposition of High Energy Orbtial
Replies: 0
Views: 3278

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...