QuantumATK Forum

QuantumATK => Questions and Answers => Topic started by: Inaoton on September 24, 2018, 07:29

Title: VCA for elements with different valence electrons
Post by: Inaoton on September 24, 2018, 07:29
hello,
               Is there any way virtual crystal approximation (VCA) be applied to elements with different valence electrons?
Title: Re: VCA for elements with different valence electrons
Post by: Petr Khomyakov on September 24, 2018, 10:31
This feature is not available at the moment. It is also usually not a good idea of using VCA in this case. 
Title: Re: VCA for elements with different valence electrons
Post by: gherasi on January 16, 2020, 04:30
Hi Petr,
What would you suggest should be used instead of VCA in this case?
Title: Re: VCA for elements with different valence electrons
Post by: Petr Khomyakov on January 16, 2020, 11:49
See a separate post of yours.