Richard Tran

Results 14 comments of Richard Tran

- For a plotly based Wulff shape app, I was thinking of a compromise between simple and flexible. The surface energy needs two types of calculations: 1. the chemical potential...

I think just having the warnings appear itself would already be very helpful even if it doesn't resolve all the issues as @shyuep said. I've tested to see what would...

This sounds good to me. There's also an comprehensive list of the INCAR parameters on the Vasp manual: https://cms.mpi.univie.ac.at/wiki/index.php?title=Category:INCAR&pageuntil=ML+FF+LHEAT+MB#mw-pages which states there are 346 parameters, however I do not known...