GGA

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Revision as of 18:09, 3 February 2011 by Mmars (talk | contribs) (Created page with '{{TAGDEF|GGA|PW {{!}} PB {{!}} LM {{!}} 91 {{!}} PE {{!}} RP {{!}} PS {{!}} AM| type of exchange-correlation in accordance with the {{FILE|POTCAR}} file}} Description: {{TAG|GGA…')
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GGA = PW | PB | LM | 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:

Contents

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