[Pw_forum] How to modify the exchange and correlation potential?
binlinux at outlook.com
binlinux at outlook.com
Thu Jul 24 09:43:30 CEST 2014
Dear users,
I'm learning to generate UPFs using ld1.x code. We knew that the exchange
and correlation potential can be GGA or LDA, etc. My problem is: how could
I modify the potential expression? For example, I want to use a new potential
based on GGA: V_new=V_GGA+W(r), which file in the "atomic/src" dir or
somewhere define the potential founction?
Li Bin
binlinux at outlook.com
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