Argument Definitions (+ indicates altered content) INTEGER I
Description Copyright (C) 1978 Charlotte Froese Fisher Copyright (C) 2012 Jacek Kobus The method controls the process of finding a solution to the Fock equation for the i-th orbital
Source file: method.f
I/O Operations: Unit ID Unit No Access Form Operation OUC 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*8 ABS
External Functions and Subroutines Called INTEGER NODEC REAL*8 EMIN SUBROUTINE SOLVE
Parameter Variables Used INTEGER MAXNO (MAXNO = 29999) INTEGER MAXORB (MAXORB = 20)
Local Variables (+ indicates altered content) INTEGER +J, +NC LOGICAL*1 +FIRST, +V2 REAL*8 +DEL, +EDP
Referenced Equivalenced Variables (+ indicates altered content) EQUIV REAL*8 +P1() Local Var REAL*8 +PDE() COMMON /WAVE/
Referenced Common Block Variables (+ indicates altered content) INOUT INTEGER OUC LABEL CHARACTER*4 EL(MAXORB) MCOMMBLOCK INTEGER L(MAXORB) MCOMMBLOCK INTEGER N(MAXORB) PARAM INTEGER NO PARAM REAL*8 Z PARAM1 REAL*8 D0, D1 PARAM1 REAL*8 D2, D5 TEMP2 INTEGER KK, M TEMP2 INTEGER +MK, NJ TEMP2 INTEGER NODE TEMP2 REAL*8 +AZZ, +DELTAE TEMP2 REAL*8 +EM, +EU TEMP2 REAL*8 +FM, FN TEMP2 REAL*8 +FU, +PP TEST LOGICAL*1 +FAIL WAVE REAL*8 AZD, +E(MAXORB,MAXORB) WAVE REAL*8 +ED, +PDE(MAXNO) WAVE REAL*8 S(MAXORB)