[QE-users] The long time takes in calculation of Computing stress and pressure during vc-relax

[Zhao Yi-Feng]

Dear quantum-espresso developer and user,

I am using quantum-espresso to do the cell relaxation with vc-relax. The system is a supercell that contains 96 spin-polarized atoms (AFM) using PBE+U. It is fast for the first SCF calculation, which costs about 30 minutes to converge. However, it takes about 3.5 hours to calculate the stress (Cartesian axis) and pressure. I am not sure what happened to this issue. Could anyone help me with this? Thank you

Best regards,
Zhao
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