Argument Definitions (+ indicates altered content) INTEGER IORB1, IORB2 REAL*8 EXCP(*), POT(*), PSI(*), WGT2(*) REAL*8 +WK0(*), WK1(*)
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. * * ### Eab2DFT ### Evaluates the off-diagonal Lagrange multipliers in case of a local exchange approximation
Source file: Eab2DFT.f
I/O Operations: Unit ID Unit No Access Form Operation * SEQ FMTD W Operation codes A=rewind,B=backspace,C=close,E=endfile I=inquire,O=open,R=read,W=write
Intrinsic Functions Called GENERIC*4 MIN
External Functions and Subroutines Called REAL*8 DOT SUBROUTINE ADD, AXPY, PROD, PROD2
Local Variables (+ indicates altered content) INTEGER +I, +IBORB, +IBORB1, +IBORB2 INTEGER +IBPOT, +IORB, IPC1, +IPC12 INTEGER IPC2, +IPC21, +ISIORB1, +ISIORB2 INTEGER +ISIPOT, LENGTH, +NGRID, +NMUT REAL*8 ENGO1, ENGO2, ENGOPRV1, ENGOPRV2 REAL*8 +OC, +WTWOEL
Referenced Common Block Variables (+ indicates altered content) ADDRESS1 INTEGER I1B(60), I2B(60) ADDRESS3 INTEGER I1SI(60), I2SI(60) ADDRESS5 INTEGER I1MU(60) COMPATAB CHARACTER*8 BOND(60) COMPATAB INTEGER IORN(60) CONFIG INTEGER NORB CONSFP REAL*8 ZERO CONSINT INTEGER IONE DEBUG INTEGER IPRINT(1000) GRIDI INTEGER MXSIZE NOENG REAL*8 +ENGO(3600) ORBITI INTEGER IGE(60), MGX(9,60) ORBITR REAL*8 OCC(60) SCFR INTEGER LMTYPE SCFR REAL*8 DFLAGRA, SFLAGRA