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Author Topic: Reg. Potentials  (Read 1377 times)

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Offline bsb_2015

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Reg. Potentials
« on: April 21, 2015, 19:45 »
Dear all,
Let me know that potentials m-BJ and HSE are in our tool if yes than which name if no then any other equivalent of these functions.
 Thanks
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Offline Anders Blom

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Re: Reg. Potentials
« Reply #1 on: April 21, 2015, 21:58 »
HSE is not, but if by m-BJ you mean the exchange-correlation from Tran & Blaha, Phys. Rev. Lett. 102, 226401 (2009), then this is called Meta-GGA (MGGA) TB09 in ATK.
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