« first day (226 days earlier)      last day (1027 days later) » 

6:17 AM
0
Q: DFT Vasp calculation not converging when doing a SCF calculation for monolayer MoS2

jackI am trying to calculate the electronic structure of Monolayer Molybdenum Disulfide MoS_2 using Vasp. However, I encounter problems with convergence. It does not seem that my calculations converge at all. I am using a Monkhorst Pack grid 15 * 15 * 1 (although I tried different densities to unders...

 

« first day (226 days earlier)      last day (1027 days later) »