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. * * ### Ea ### Calculates the eigenvalue of h operator as . Orbitals are assumed to be normalized.
Source file: Ea.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 DOUBLE PRECISION DBLE GENERIC*4 MIN
External Functions and Subroutines Called REAL*8 DOT SUBROUTINE ADD, AXPY, COPY, DIFFMU SUBROUTINE DIFFNU, PMTX, PROD, PROD2 SUBROUTINE PRODA, PRODAS, PUTIN, PUTOUT SUBROUTINE SCAL
Local Variables (+ indicates altered content) INTEGER +I, +I1BEG, +I1BEG1, +I2BEG INTEGER +I2BEG1, +I3BEG, +IHC, +IORB1 INTEGER +IPC, +KEX, +NGEX, +NGORB INTEGER +NGORB1, +NGPOT, +NGPOT1, +NGRID INTEGER +NGRID2, +NMUT REAL*8 +ESHIFT, +OC, +W, +WKIN REAL*8 +WNUCL, +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 CHARACTER*8 BOND(60), GUT(60) COMPATAB INTEGER ILC(1830) COMPATAB INTEGER IORN(60) CONFIG INTEGER NEL, NORB CONSFP REAL*8 ONE, ZERO CONSINT INTEGER IONE DEBUG INTEGER INCRMU, INCRNI DEBUG INTEGER IPRINT(1000) ENERG REAL*8 +ENG(60) GRIDI INTEGER MXSIZE, NMU(10) GRIDI INTEGER NNI NOENG REAL*8 +ENGO(3600) OPCOM REAL*8 GEC(7200) ORBIT INTEGER ISYMORB(60) ORBIT INTEGER MM(60) ORBITR REAL*8 OCC(60) SORWK INTEGER +ISYM