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Messages - mark_e

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General Questions and Answers / Re: Using ultrasoft pseudopotentials in ATK
« on: June 4, 2010, 01:48 »
Okay thanks for the reply.

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General Questions and Answers / Using ultrasoft pseudopotentials in ATK
« on: June 3, 2010, 10:36 »
Just wondering whether it is possible to use ultrasoft pseudopotentials in ATK if they are in the upf format?  I know ATK uses the pre-defined norm-conserving pseudopotentials.  I was just wondering whether you can define a custom ultrasoft pseudopotential?

Thanks

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