Argument Definitions (+ indicates altered content) INTEGER IORB1, IORB2 REAL*8 E(*), EXCP(*), F0(*), POT(*) REAL*8 PSI(*), WGT1(*), WGT2(*), +WK0(*) REAL*8 WK1(*), WK2(*), WK3(*)
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. * * ### Eab1HF ### Evaluates off-diagonal Lagrange multipliers in cases occ(iorb1)=occ(iorb2) ipc12=iorb1+(iorb2-1)*norb ipc21=iorb2+(iorb1-1)*norb e(iorb2,iorb1) = e(2,1) = engo(ipc21)=<1|T_k +V_n+V_C-V_x|2> e(iorb1,iorb2) = e(1,2) = engo(ipc12)=<2|T_k +V_n+V_C-V_x|1>
Source file: Eab1HF.f
Intrinsic Functions Called DOUBLE PRECISION DBLE GENERIC*4 MIN
External Functions and Subroutines Called REAL*8 DOT SUBROUTINE ADD, AXPY, COPY, DIFFMU SUBROUTINE DIFFNU, PROD, PRODA, PRODAS SUBROUTINE PUTIN, PUTOUT, SCAL
Local Variables (+ indicates altered content) INTEGER +I, +I1BEG, +I1BEG1, +I1BEG2 INTEGER +I2BEG, +I3BEG, +IHC, +IORB INTEGER +IPC12, +KEX, +NGEX, +NGORB INTEGER +NGORB1, +NGORB2, +NGPOT, +NGPOT1 INTEGER +NGPOT2, +NGRID, +NGRID2, +NMUT INTEGER +NORB2 REAL*8 +COO, +W, +WONEEL, +WTWOEL
Referenced Common Block Variables (+ indicates altered content) ADDRESS1 INTEGER I1B(60), I2B(60) ADDRESS1 INTEGER I3B(1830) ADDRESS3 INTEGER I1SI(60), I2SI(60) ADDRESS3 INTEGER I3SI(1830) ADDRESS5 INTEGER I1MU(60) COMPATAB INTEGER ILC(1830) CONFIG INTEGER NORB CONSFP REAL*8 ONE, ZERO CONSINT INTEGER IONE GRIDI INTEGER MXSIZE, NNI NOENG REAL*8 +ENGO(3600) OPCOM REAL*8 GEC(7200) ORBIT INTEGER ISYMORB(60) ORBIT INTEGER MM(60) ORBITI INTEGER IGE(60) ORBITR REAL*8 OCC(60) SORWK INTEGER +ISYM