Argument Definitions (+ indicates altered content) INTEGER IORB 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. * * ### EabDFT ### Calculates the off-diagonal Lagrange multipliers in case of a local exchange potential.
Source file: EabDFT.f
I/O Operations: Unit ID Unit No Access Form Operation IOUT6 SEQ FMTD W * SEQ FMTD W Operation codes A=rewind,B=backspace,C=close,E=endfile I=inquire,O=open,R=read,W=write
External Functions and Subroutines Called SUBROUTINE EAB1DFT, EAB2DFT
Local Variables (+ indicates altered content) INTEGER +IORB1, +IORBBEG, +IPC12, +IPC21 REAL*8 +ENGO12, +ENGO21, +ENT, +WOCC
Referenced Common Block Variables (+ indicates altered content) COMPATAB CHARACTER*8 BOND(60) COMPATAB INTEGER IORN(60) CONFIG INTEGER NEL, NORB DEBUG INTEGER IPRINT(1000) IOCHAN INTEGER IOUT6 NOENG INTEGER NLM(60,60) NOENG REAL*8 +ENGO(3600) ORBITI INTEGER IHOMO(60) ORBITR REAL*8 OCC(60) SCFR INTEGER ILAGRA, LMTYPE SCFR INTEGER NLMF(60,60) SCFR REAL*8 SFLAGRA