Argument Definitions (+ indicates altered content) REAL*8 GRHOT(*), RHOT(*), +WK(*), WK0(*) REAL*8 +WK1(*), WK2(*), WK3(*), WK4(*) REAL*8 WK5(*), 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. * * ### fbe88sup ### Calculates the Becke exchange potential for a given density and returns it in grhot array (see Johnson, Gill, Pople, JCP 98 (1993) p.5623) and L.Fan and T.Ziegler, JCP 94 (1991) 6057)
Source file: fbe88sup.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 FDFTPOT SUBROUTINE COPY, N2F, NFNG
Parameter Variables Used REAL*8 CONST13 (CONST13 = 1.D0/3.D0) REAL*8 CONST43 (CONST43 = 4.D0/3.D0) REAL*8 CONST53 (CONST53 = 5.D0/3.D0) REAL*8 BBETA (BBETA = 0.0042)
Local Variables (+ indicates altered content) INTEGER +I REAL*8 +F, +FM1, +G1, +G3 REAL*8 +S, +S2, +T1, +T2 REAL*8 +T3
Referenced Common Block Variables (+ indicates altered content) CONSFP REAL*8 ONE, PRECIS CONSFP REAL*8 TWO CONSINT INTEGER IONE GRIDI INTEGER MXSIZE SCFR REAL*8 ALPHAF