ALDAX: Difference between revisions

Revision as of 16:17, 15 February 2023

ALDAX = [real]
Default: ALDAX = 1.0-AEXX if LHFCALC=.TRUE.

Description: ALDAX is a parameter that multiplies the LDA exchange functional or the LDA part of the GGA exchange functional.

ALDAX can be used as the fraction of LDA exchange in a Hartree-Fock/LDA or Hartree-Fock/GGA hybrid functional.

Note that for versions of VASP prior to 6.4.0, ALDAX was constrained to be equal to 1.0-AEXX. This constraint is lifted since VASP.6.4.0.

@@ Line 1: / Line 1: @@
-{{TAGDEF|ALDAX|[real]|1.0-{{TAG|AEXX}} if {{TAG|LHFCALC}}{{=}}.TRUE. or 1.0 if {{TAG|LHFCALC}}{{=}}.FALSE.}}
+{{TAGDEF|ALDAX|[real]|1.0-{{TAG|AEXX}} if {{TAG|LHFCALC}}{{=}}.TRUE. | 1.0 if {{TAG|LHFCALC}}{{=}}.FALSE.}}
-{{DEF|ALDAX|Fast|for RPAR calculations |Normal |  else}}
 Description: {{TAG|ALDAX}} is a parameter that multiplies the LDA exchange functional or the LDA part of the GGA exchange functional.