« first day (1050 days earlier)      last day (361 days later) » 

VASP Finder
VASP Finder
11:40 AM
0
Q: calculation of E-K diagram of a charge density wave ground state using DFT VASP

poulomiI have a DFT calculation in VASP are done at 0K. And CDW is a temperature dependent phenomena. Therefore for a CDW ground state calculation can I add periodic modulation in atomic position? If so how to add periodic modulation to atomic position?

density-functional-theory vasp
 

« first day (1050 days earlier)      last day (361 days later) »