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. * * ### expw91 ### 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).
Source file: expw91.f
External Functions and Subroutines Called REAL*8 EXPW91SUP, FDFTEN SUBROUTINE ADD, COPY, EXOCC, NFNG SUBROUTINE PROD2, SCAL
Local Variables (+ indicates altered content) INTEGER +I, +IBORB, +IORB, +ISIORB INTEGER +NMUT REAL*8 OCDOWN, OCUP
Referenced Common Block Variables (+ indicates altered content) ADDRESS1 INTEGER I1B(60) ADDRESS3 INTEGER I1SI(60) ADDRESS5 INTEGER I1MU(60) CONFIG INTEGER NORB CONSFP REAL*8 FOUR, HALF CONSFP REAL*8 TWO CONSINT INTEGER IONE GRIDI INTEGER MXSIZE SCFR REAL*8 ALPHAF