QuantumATK Forum
QuantumATK => General Questions and Answers => Topic started by: Inaoton on September 24, 2018, 07:29
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hello,
Is there any way virtual crystal approximation (VCA) be applied to elements with different valence electrons?
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This feature is not available at the moment. It is also usually not a good idea of using VCA in this case.
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Hi Petr,
What would you suggest should be used instead of VCA in this case?
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See a separate post of yours.