Argument Definitions (+ indicates altered content) INTEGER I
Description Copyright (C) 1978 Charlotte Froese Fisher Copyright (C) 2012 Jacek Kobus The potlcg2 subroutine fills for orbital i the vdft array with the values of the Slater local exchange potential as proposed by Cowan (Phys. Rev. 163, 54 (1967), eq.14, f=1). It is assumed that only one configuration contributes to the total density.
Source file: potlcg2.f
Parameter Variables Used INTEGER MAXNO (MAXNO = 29999) INTEGER MAXORB (MAXORB = 20) REAL*8 CONST13 (CONST13 = 1.D0/3.D0)
Local Variables (+ indicates altered content) INTEGER +J, +K REAL*8 +CK1, +FDFTPOT, +QCC, +QCCP REAL*8 +RHOT, +RHOTP
Referenced Common Block Variables (+ indicates altered content) CONST REAL*8 PII, THREE CONST REAL*8 TWO MCOMMBLOCK INTEGER L(MAXORB) MCOMMBLOCK INTEGER N(MAXORB) MCOMMBLOCK REAL*8 P(MAXORB,MAXNO) PARAM INTEGER NO, NWF PARAM1 REAL*8 D0, D1 PARAM1 REAL*8 D2, D5 REL REAL*8 +VDFT(MAXNO) REL REAL*8 XALPHA STATE REAL*8 QC(MAXORB,40)