[Thermo_pw-forum] Stress Tensor

Francisco Wellery Nunes Silva wellery at fisica.ufc.br
Sun Apr 4 03:19:40 CEST 2021


Dear thermo_pw users,

Why the stress tensor at the end of a relaxation in a run within
thermo_pw.x is smaller than in a calculation with pw.x even for the same
set of inputs ?!?! The difference is about one order of magnitude, thus
leading to a smaller pressure and energy.

Best Wishes,
Wellery.

-- 

*******************************************
Dr. Francisco Wellery Nunes Silva.
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Skype >> silvafwn
*Research Associate at,*
Laboratório de Microscopia Avançada -- LMA
Universidade Federal do Ceará (UFC),
Caixa Postal 6030 ( Mail-Box  6030 )
C.E.P -- 60.455-900
Fortaleza - Ceará – Brasil
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