Argument Definitions (+ indicates altered content) INTEGER I
Description Copyright (C) 1978 Charlotte Froese Fisher Copyright (C) 2012 Jacek Kobus The potllda subroutine fills for orbital i the vdft array with the values of the Slater local exchange potential. It is assumed that only one configuration contributes to the total density and that the number of electrons with up and down spin matches
Source file: potllda.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 +FDFTPOT, +QCC, +QCCP, +RHOT REAL*8 +RHOTP
Referenced Common Block Variables (+ indicates altered content) CONST REAL*8 PII, THREE CONST REAL*8 TWO MCOMMBLOCK REAL*8 P(MAXORB,MAXNO) PARAM INTEGER NO, NWF PARAM1 REAL*8 D0, D2 REL REAL*8 +VDFT(MAXNO) REL REAL*8 XALPHA STATE REAL*8 QC(MAXORB,40)