Argument Definitions (+ indicates altered content) INTEGER CW_SOR(*), IORB REAL*8 B(*), D(*), E(*), EXCP(*) REAL*8 F0(*), F1(*), F2(*), F4(*) REAL*8 FOCK1(*), FOCK2(*), +LHS(*), POT(*) REAL*8 PSI(*), RHS(*), WGT2(*), WK0(*) REAL*8 +WK1(*), WK2(*), WK3(*), WK4(*) REAL*8 WK5(*), WK6(*), WK7(*), WK8(*) REAL*8 WK9(*)
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. * * ### orbSORrev ### Evaluates the Fock potential for a given orbital, sets up the right-hand side of the Poisson equation for that orbital and performs a few SOR iterations with the the reversed ordering of mesh points
Source file: orbSORrev.f
External Functions and Subroutines Called SUBROUTINE FOCK, FOCKDFT, ORBASYMPTDET SUBROUTINE ORBASYMPTSET, PUTIN, PUTIN2 SUBROUTINE PUTIN3, PUTIN4, PUTOUT, PUTOUT34 SUBROUTINE SORREV
Local Variables (+ indicates altered content) INTEGER +I, +IBORB, +IBORB1, +IG INTEGER +II, +IJ, +IOFFS1, +IOFFST INTEGER +ITR1, +ITR2, +J, +NMUT REAL*8 WK10, WK11
Referenced Common Block Variables (+ indicates altered content) ADDRESS1 INTEGER I1B(60) ADDRESS4 INTEGER I1NG(60) ADDRESS5 INTEGER I1MU(60) DERIV3 REAL*8 DIAG(10), DMU1(4,10) DERIV3 REAL*8 DMU2(4,10) GRIDI INTEGER IEMU(10), IOFFS(10) GRIDI INTEGER NGRIDS, 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 ORBIT INTEGER ISYMORB(60) SCFI INTEGER ISLAT SORI INTEGER MAXSOR1, MAXSOR2 SORR REAL*8 OVFORB(10) SORWK INTEGER +IFILL, +ISYM SORWK INTEGER +MUOFFS SORWK REAL*8 +DMU1T(4), +DMU2T(4) SORWK REAL*8 +OMEGA, +OMEGA1