GAWP Basis set recommendations

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mdsimula...@gmail.com

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Sep 16, 2022, 10:58:13 AMSep 16
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Hello,

I'm working on transition metal oxides and have found the GAPW method to give better unit cell dimensions.  I haven't used GAPW too much so I'm wondering if there are any recommended basis sets when used with DFT+U (in this case PBE+U)?

Thanks,
Frank
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