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Releases: ssahoo41/dev_SPARC_PBEq

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PBEq functional implementation in SPARC

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@ssahoo41 ssahoo41 released this 15 Feb 00:13
v1.0.1
b99b5ed

In this version, we fix the potential calculation for PBEq functional where extra potential contribution is included in self-consistent calculations.

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v1.0.0

v1.0.0

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@ssahoo41 ssahoo41 released this 03 Aug 16:28
first-commit(v1.0.0)
b4a884b

First version of PBEq XC functional in SPARC

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