[QE-users] ΔS calculation in quantum espresso

Impact Group impactgroup at proton.me
Sun Feb 12 17:30:12 CET 2023


Dear all,
For the caloric materials, ΔS_M , defined as ∫(∂M/∂T)dH is an important value.
Can we calculate ΔS_M in QE?
Kindly let me know.

Regards,

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