[Wien] relaxation and optimisation using r2SCAN

Hamza Bouafia hamza.bfa at gmail.com
Fri Jun 2 15:16:09 CEST 2023


Dear WIEN2k users,
using r2SCAN (mgga)
- relaxation can be done with mGGA with WIEN2k*?
- For optimization, we perform init_mgga at the beginning or we have to
change the script to launch it at each case.struct
thank you in advance
H Bouafia
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