SUBROUTINE NUCLDER ( )
Description
Copyright (C) 1978 Charlotte Froese Fisher 
Copyright (C) 2012 Jacek Kobus 
 
 
The output subroutine prints the set of functions P_i(r) 
involved in the SCF iterations. These functions together with r 
values and some additional parameters may also be written into a 
separate file for later use by the 2DHF program
Source file:nuclder.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
External Functions and Subroutines Called
REAL*8             ERF
SUBROUTINE         DIFFS,      GENORBCOEFF
Parameter Variables Used
INTEGER            MAXNO              (MAXNO = 29999)
INTEGER            MAXORB             (MAXORB = 20)
Local Variables (+ indicates altered content)
INTEGER           +I,         +J,         +K
REAL*8            +DENDER(10),            +PBAR(MAXNO)
REAL*8             PBARPRIM(MAXNO),       +PT,        +PT1
REAL*8            +PT2,       +PTPRIM
Referenced Common Block Variables (+ indicates altered content)
MCOMMBLOCK         REAL*8             P(MAXORB,MAXNO)
MCOMMBLOCK         REAL*8             R(MAXNO),  R2(MAXNO)
MCOMMBLOCK         REAL*8             RR(MAXNO)
PARAM              INTEGER            NO,        NWF
PARAM              REAL*8             RHO
PARAM0             INTEGER            IONE,     +IZERO
PARAM1             REAL*8             D5

SUBROUTINE GENORBCOEFF ( IORB )
Argument Definitions (+ indicates altered content)
INTEGER            IORB
Description
  Copyright (C) 1978 Charlotte Froese Fisher 
  Copyright (C) 2012 Jacek Kobus 
 
 
The quasirelativistic potential modifies solutions of the Fock 
equations (orbitals and potentials). Its asymptotic behaviour near 
the origin is needed to provide correct starting values for the 
solutions. But this behaviour is determined by the asymptotic 
behaviour of the Coulomb and local exchange potentials (used in 
the correction). 
We assume that the asymptotic behaviour is of the form: 
V_C -V_{lx} = z_1 r +  z_2 r^2 + z_3 r^3 
z_1 parameter is used to modify the starting values of orbitals 
(see solve and start). It is also used by quadr when evaluating 
the [0..rho] part of the integral.
Source file:nuclder.f
I/O Operations:
Unit ID  Unit No       Access  Form   Operation
    OUC                   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         DGELS
Parameter Variables Used
INTEGER            MAXNO              (MAXNO = 29999)
INTEGER            MAXORB             (MAXORB = 20)
INTEGER            LDA                (LDA = 8)
INTEGER            MA                 (MA = 8)
INTEGER            NA                 (NA = 8)
INTEGER            LWORK              (LWORK = 200)
Local Variables (+ indicates altered content)
INTEGER           +I,          INFO,      +J
REAL*8            +A(LDA,MA), +B(LDA,1),  +P0,        +P1
REAL*8            +PBAR(MAXNO),           +PN0,       +PP
REAL*8            +RC,         WORK(LWORK)
Referenced Common Block Variables (+ indicates altered content)
CONST              REAL*8             ONE
DEBUG              INTEGER           +IDBG(100)
INOUT              INTEGER            OUC
MCOMMBLOCK         REAL*8             P(MAXORB,MAXNO)
MCOMMBLOCK         REAL*8             R(MAXNO),  R2(MAXNO)
MCOMMBLOCK         REAL*8             RR(MAXNO)
PARAM              INTEGER            NO
PARAM0             INTEGER            IONE
REL                REAL*8             DLR(MAXORB)
REL                REAL*8            +Z1