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. * * ### expw86sup ### Calculates exchange energy according to a formula of Parr and Wang Yue Phys. Rev. B 54, 16 533 (1996), Phys. Rev. B 45, 13 244 (1992). J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson and C. Fiolhais, Phys. Rev. B 46, 6671 (1992)
Source file: expw91sup.f
Intrinsic Functions Called GENERIC*8 ABS, EXP 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 CONST23 (CONST23 = 2.D0/3.D0) REAL*8 CONST43 (CONST43 = 4.D0/3.D0) REAL*8 A (A = 7.79560D0) REAL*8 A1 (A1 = 0.196450D0) REAL*8 A2 (A2 = 0.27430D0) REAL*8 A3 (A3 = 0.150840D0) REAL*8 A4 (A4 = 100.0D0) REAL*8 B1 (B1 = 0.0040D0)
Local Variables (+ indicates altered content) INTEGER +I REAL*8 +CONST, +RHO43, +S, +S2
Referenced Common Block Variables (+ indicates altered content) CONSFP REAL*8 ONE, PII CONSFP REAL*8 PRECIS CONSINT INTEGER IONE GRIDI INTEGER MXSIZE