3 Questions 9 Answers 0 Followers
Questions related from Juan Andres De la Rosa Abad
Hi! I would like to know if someone has a strategy to make a nanosystem converge. I am simulating two nanosystems, NiO and Cu2O. In the case of the NiO, I am using a PBEsol PAW pseudopotential...
25 July 2024 523 10 View
I would like to simulate the high and slow spin configuration of a metal oxide. I am using QE for it, but in my research, I found that this kind of calculus is not possible. Or if it is possible,...
16 May 2024 6,594 3 View
I am trying to install QE with GPU. I used this configure instruction: sudo ./configure --with-cuda=/opt/nvidia/hpc_sdk/Linux_x86_64/24.1/cuda/ --with-cuda-runtime=12.02 --with-cuda-cc=61...
27 February 2024 1,001 2 View