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GGA-tag

Default -


This tag was added to perform GGA calculation with pseudopotentials generated with conventional LDA reference configurations. The tag is named GGA. Possible options are

\begin{displaymath}
GGA = PW \vert PB \vert LM \vert 91 \vert PE \vert RP
\end{displaymath}

with the following meaning:
PB Perdew -Becke
PW Perdew -Wang 86
LM Langreth-Mehl-Hu
91 Perdew -Wang 91
PE Perdew-Burke-Ernzerhof (VASP.4.5)
RP revised Perdew-Burke-Ernzerhof (VASP.4.5)



Georg Kresse
2007-03-01