Dear all： I want to study a system in which oxygen atoms are on a partially occupied position. So I need to generate a 'virtual' potential of oxygen using Virtual Crystal Approximation . As has been discussed in the forum, using virtual.x in upftools/ new pseudopotential = (1-x)V1+xV2 However, in my case V1 is pseudo of Oxygen and V2 is a vacancy, and I do not know how to deal with it. Can I generate a pseudo of Oxygen specifying the Z valance=0 ? (Maybe it is a stupid idea) and use this as the pseudo of vacancy? Thank you very much in advance. Best regards ruizhi zhang
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