[QE-users] External forces energy

Ronald Cohen rcohen at carnegiescience.edu
Wed Oct 13 00:04:47 CEST 2021


I am unclear about the External forces energy when adding additional ATOMIC_FORCES. In my case these are from an external electric field. It seems to me the energy should go up when you add external forces, not down, and yet I get

External forces energy = -0.00347627 Ry

Can anyone explain the logic?

Thanks,

Sincerely,

Ron

---
Ronald Cohen
Extreme Materials Initiative
Carnegie Institution for Science
5251 Broad Branch Rd., N.W.
Washington, D.C. 20015
rcohen at carnegiescience.edu
office: 202-478-8937
skype: ronaldcohen
twitter: @recohen3
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