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If hybrid-B3LYP is avialable in ATK if one has the license of FHI-aims
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Topic: If hybrid-B3LYP is avialable in ATK if one has the license of FHI-aims (Read 5071 times)
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zhaopeng77
Regular QuantumATK user
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If hybrid-B3LYP is avialable in ATK if one has the license of FHI-aims
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on:
October 5, 2017, 02:40 »
Dear Sir,
I have a question: If the hybrid-B3LYP is avialable in ATK if one has the license of FHI-aims?
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Last Edit: October 5, 2017, 02:42 by zhaopeng77
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Jess Wellendorff
QuantumATK Staff
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Re: If hybrid-B3LYP is avialable in ATK if one has the license of FHI-aims
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Reply #1 on:
October 5, 2017, 08:21 »
You can choose B3LYP with the FHI-aims calculator, but not with any of the ATK calculators.
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If hybrid-B3LYP is avialable in ATK if one has the license of FHI-aims