Argument Definitions (+ indicates altered content) REAL*8 GRHO(*), RHO(*), WGT2(*), +WK0(*) REAL*8 WK1(*)
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. * * ### exbe88sup ### Calculates exchange energy according to Becke's gradient formula (PRA 88 (1988) 3098-3100)
Source file: exbe88sup.f
Intrinsic Functions Called GENERIC*8 ABS GENERIC*4 LOG GENERIC*8 SQRT
Statement functions Defined REAL*8 +ASH
External Functions and Subroutines Called REAL*8 DOT SUBROUTINE MULTF4
Parameter Variables Used REAL*8 CONST43 (CONST43 = 4.D0/3.D0) REAL*8 BBETA (BBETA = 0.0042)
Local Variables (+ indicates altered content) INTEGER +I REAL*8 +RHO43, +S, +S2
Referenced Common Block Variables (+ indicates altered content) CONSFP REAL*8 ONE, PRECIS CONSINT INTEGER IONE GRIDI INTEGER MXSIZE