Argument Definitions (+ indicates altered content) INTEGER I
Description Copyright (C) 1978 Charlotte Froese Fisher Copyright (C) 2012 Jacek Kobus This routine calculates a quasirelativistic correction due to Barthelat, Pelissier and Durand (Phys. Rev. A21, 1773 (1980))
Source file: qpotbpd.f
I/O Operations: Unit ID Unit No Access Form Operation * SEQ FMTD W 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 SQRT
External Functions and Subroutines Called REAL*8 ZVAR SUBROUTINE DIFFS
Parameter Variables Used INTEGER MAXNO (MAXNO = 29999) INTEGER MAXORB (MAXORB = 20)
Local Variables (+ indicates altered content) INTEGER +J REAL*8 +A(MAXNO), +AR(MAXNO), +AX, +EE REAL*8 +XK, +XX, +ZT
Referenced Common Block Variables (+ indicates altered content) DEBUG INTEGER IDBG(100) INOUT INTEGER OUC MCOMMBLOCK INTEGER L(MAXORB) MCOMMBLOCK REAL*8 R2(MAXNO) PARAM INTEGER NO PARAM0 INTEGER IONE PARAM1 REAL*8 D1, D2 PARAM1 REAL*8 D4, D5 REL INTEGER IQPOT, IUPD REL REAL*8 +DLR(MAXORB) REL REAL*8 FSC2, +Q0(MAXORB) REL REAL*8 +QM1(MAXORB) REL REAL*8 +QM2(MAXORB) REL REAL*8 +VREL(MAXNO) REL REAL*8 VXCH(MAXNO) REL REAL*8 Z1, +ZRL(MAXORB) STATE REAL*8 QC(MAXORB,40) WAVE REAL*8 E(MAXORB,MAXORB)