Dear users, I would like to implement the VCA method for charge compensation for a charged defect in a slab (as in Phys. Rev. Lett. 111, 045502 (2013)). To do this, I need to modify the nuclear charge of some host atoms. I noticed there is a keyword "zed" in pseudopotential input file which specifies the nuclear charge for an element. Can I change the value of "zed" for the pseudopotential of a specific element to achieve this purpose? Thanks!
Best regards, Jingyang Jingyang Wang Ph.D. candidate School of Applied and Engineering Physics Cornell University
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