[Pw_forum] Hybrid functional pressure

Azadi, Sam azadi at uni-mainz.de
Wed Dec 14 18:34:55 CET 2011


Dear QE users,

As it's written in README file of EXX_examples directory, corresponding formula of stress calculation
using hybrid functionals have not yet been coded in quantum espresso.
But by choosing "tstress = .true." in scf input file, there is a value for stress in scf output file.
My question is, is it reliable ?

Yours
S.A




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