Argument Definitions (+ indicates altered content) INTEGER CW_SOR(*), IORB REAL*8 BPOT(*), D(*), E(*), EXCP(*) REAL*8 F3(*), G(*), +LHS(*), POT(*) REAL*8 PSI(*), RHS(*), +WK2(*)
Description * Copyright (C) 1996 Leif Laaksonen, Dage Sundholm * Copyright (C) 1996-2010 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. * * ### exchSOR ### Evaluates exchange potentials involving a given orbital.
Source file: exchSOR.f
Intrinsic Functions Called DOUBLE PRECISION DBLE GENERIC*8 ABS GENERIC*4 MIN, MOD
External Functions and Subroutines Called SUBROUTINE PROD2, PUTIN, PUTOUT, SOR
Local Variables (+ indicates altered content) INTEGER +I, +IB1, +IB2, +IBEXP INTEGER +IBEXP1, +IDEL, +IDEL1, +IFIRST INTEGER +IG, +IN1, +IN2, +IOFFS1 INTEGER +IOFFST, +IORB1, +IPC, +ISWTCH INTEGER +ITR1, +ITR2, +NG1, +NG2 INTEGER +NGEXP, +NGORB, +NGRID REAL*8 +XDEL
Referenced Common Block Variables (+ indicates altered content) ADDRESS1 INTEGER I1B(60), I3B(1830) ADDRESS3 INTEGER I1SI(60), I3SI(1830) ADDRESS4 INTEGER I1NG(60) ADDRESS6 INTEGER +IWEXCH(1860) COMPATAB INTEGER ILC(1830) CONFIG INTEGER NEL, NORB CONSINT INTEGER ITWO DERIV3 REAL*8 DIAG(10), DMU1(4,10) DERIV3 REAL*8 DMU2(4,10) GRIDI INTEGER IEMU(10), IOFFS(10) GRIDI INTEGER NGSIZE(10) GRIDI INTEGER NMU(10), NNI INDEX INTEGER IADEX1(20) INDEX INTEGER IADEX2(20) INDEX INTEGER IADEX3(20) INDEX INTEGER IADEXT(20) INDEX INTEGER IADNOR(20) INDEX INTEGER INGR1(4,10) INDEX INTEGER INGR2(4,10) INDEX INTEGER +NGRD1, +NGRD6A INDEX INTEGER +NGRD6B, +NGRD7 ORBITI INTEGER MGX(9,60) SCFR REAL*8 EXLEXP SORI INTEGER MAXSOR1, MAXSORPOT(60) SORR REAL*8 OVFEXCH(10) SORWK INTEGER +IFILL, +ISYM SORWK INTEGER +MUOFFS SORWK REAL*8 +DMU1T(4), +DMU2T(4) SORWK REAL*8 +OMEGA, +OMEGA1