Re: [QE-users] [EXT] Environ Cube files

Hi Lance, The cube files can be opened and visualized with a wide range of atomistic visualization software. I use VMD (https://www.ks.uiuc.edu/Research/vmd/), but I think also XCrysden and Vesta would work, to say a few. Coming to what is inside the files, there is no documentation right now.

[QE-users] Environ Cube files

Hello all, I have been using Environ 1.0 with QE 6.2.1. When setting verbose to 2 in environ.in various cube files are generated (polarization_density.cube, charges.cube, etc..). Looking through the documentation I cannot seem to find descriptions for these cube files (e.g. what data is

Re: [QE-users] GPU version, NVIDIA Tesla P4

Dear Prof. Krompiec, I'm not aware of any limitation that would prevent the new GPU port of QE from running on the P4. However, that card is not so nice for double precision math and you may not get much out of it (see https://en.wikipedia.org/wiki/Nvidia_Tesla ). If you want to try the

[QE-users] GPU version, NVIDIA Tesla P4

Hello, Is there any chance that NVIDIA Tesla P4 will be supported by the GPU version of QE? Thanks, Michal Dr. Michal Krompiec Adjunct Professor School of Chemistry, University of Southampton Highfield, Southampton SO17 1BJ, UK and Head of Computational Modelling | Performance Materials |