Author Topic: VCA for elements with different valence electrons  (Read 296 times)

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Offline Inaoton

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VCA for elements with different valence electrons
« on: September 24, 2018, 07:29 »
hello,
               Is there any way virtual crystal approximation (VCA) be applied to elements with different valence electrons?

Offline Petr Khomyakov

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Re: VCA for elements with different valence electrons
« Reply #1 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. 

Offline gherasi

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Re: VCA for elements with different valence electrons
« Reply #2 on: January 16, 2020, 04:30 »
Hi Petr,
What would you suggest should be used instead of VCA in this case?

Offline Petr Khomyakov

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Re: VCA for elements with different valence electrons
« Reply #3 on: January 16, 2020, 11:49 »
See a separate post of yours.