Argument Definitions (+ indicates altered content) REAL*8 GRHOT(*), GRHOTDOWN(*), GRHOTUP(*) REAL*8 PSI(*), RHOT(*), +RHOTDOWN(*) REAL*8 +RHOTUP(*), WGT2(*), WK0(*), +WK1(*) REAL*8 +WK2(*), WK3(*), WK4(*), WK5(*) REAL*8 WK6(*), WK7(*)
Description * Copyright (C) 2010 Jacek Kobus* * This program is free software; you can redistribute it and/or modify * it under the terms of the GNU General Public License version 2 as * published by the Free Software Foundation. * * ### exbe88 ### Calculates exchange energy according to Becke eq.8 (PRA 38 (1988) 3098-3100)
Source file: exbe88.f
External Functions and Subroutines Called REAL*8 DOT, EXBE88SUP, FDFTEN SUBROUTINE ADD, COPY, EXOCC, MULTF4 SUBROUTINE NFNG, PROD2, SCAL
Parameter Variables Used REAL*8 CONST43 (CONST43 = 4.D0/3.D0)
Local Variables (+ indicates altered content) INTEGER +I, +IBORB, +IORB, +ISIORB INTEGER +NMUT REAL*8 OCDOWN, OCUP, +WXALPHA
Referenced Common Block Variables (+ indicates altered content) ADDRESS1 INTEGER I1B(60) ADDRESS3 INTEGER I1SI(60) ADDRESS5 INTEGER I1MU(60) CONFIG INTEGER NORB CONSINT INTEGER IONE GRIDI INTEGER MXSIZE SCFR REAL*8 ALPHAF