[QE-users] forces and stress with ortho-atomic u projection
Mina Hemati
minahemati65 at yahoo.com
Sun Sep 18 15:36:28 CEST 2022
Dear users
I want to do forces and stress (vc-relax) calculations in the presence of hubbard parameter U. i have used lda_plus_u_kind=0 and u_projection=atomic. i am using QE version 7. would you please help me to know that these calculations (forces and stress) can be done with ortho-atomic u_projection?
Best regardsMinaIran university of science and technology
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