GGA: Difference between revisions
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|LM || || Langreth-Mehl-Hu | |LM || || Langreth-Mehl-Hu | ||
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|91 || || Perdew -Wang 91 | |91 || || Perdew -Wang 91 | ||
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Revision as of 11:33, 30 January 2017
GGA = 91 | PE | RP | PS | AM
Default: GGA = type of exchange-correlation in accordance with the POTCAR file
Description: GGA specifies the type of generalized-gradient-approximation one wishes to use.
This tag was added to perform GGA calculation with pseudopotentials generated with conventional LDA reference configurations.
Possible options are: