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Hybrid DFT SCF Loop
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Topic: Hybrid DFT SCF Loop (Read 4269 times)
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Dipankar Saha
Supreme QuantumATK Wizard
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Hybrid DFT SCF Loop
«
on:
March 22, 2019, 15:36 »
Hi,
1) what is meant by_ "no. of exact exchange iterations" ?
2) what is meant by_ "no. of exact exchange operator updates" ?
Best_
Dipankar
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Petr Khomyakov
QuantumATK Staff
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Re: Hybrid DFT SCF Loop
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Reply #1 on:
March 23, 2019, 21:57 »
Please take a look this manual page
https://docs.quantumatk.com/manual/technicalnotes/hybrid_functionals/hybrid_functionals.html
and references therein.
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Dipankar Saha
Supreme QuantumATK Wizard
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Re: Hybrid DFT SCF Loop
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Reply #2 on:
March 24, 2019, 09:54 »
Thank you Petr for the details !
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