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 [email protected] office: 202-478-8937 skype: ronaldcohen twitter: @recohen3
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