[Wien] Geometry optimization + dftd3
Bruno Landeros
brunolanderos at hotmail.com
Sat Jan 9 00:00:27 CET 2016
Dear Wien2k users:
When a minimization of internal parameters is carried out by using the command
run_lawp -min -dftd3
Does the final TOTAL ENERGY reported at the case.scf file include the DFTD3 correction for the energy?
Thanks in advance,
Bruno
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