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. * * ### eclyptot ### Calculates exchange correlation energy according to Vosko, Wilk, Nusair Can. J. Phys. 58 (1980) 1200
Source file: ecvwntot.f
External Functions and Subroutines Called REAL*8 DOT, QVWN SUBROUTINE ADD, EXOCC, MULTF4, PROD2 SUBROUTINE SCAL
Parameter Variables Used REAL*8 CONST16 (CONST16 = 1.D0/6.D0) REAL*8 CK1 (CK1 = 0.0310907D0) REAL*8 CL1 (CL1 = -0.10498D0) REAL*8 CM1 (CM1 = 3.72744D0) REAL*8 CN1 (CN1 = 12.9352D0)
Local Variables (+ indicates altered content) INTEGER +I, +IBORB, +IORB, +ISIORB INTEGER +NMUT REAL*8 +CONSTX, OCDOWN, OCUP, +X
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, PII CONSFP REAL*8 PRECIS, THREE CONSINT INTEGER IONE GRIDI INTEGER MXSIZE