Argument Definitions (+ indicates altered content) REAL*8 +EXCHEN
Description Copyright (C) 1978 Charlotte Froese Fisher Copyright (C) 2012 Jacek Kobus exlda calculates LDA contribution to exchange energy FIXME: the factors due to the angular part of orbitals are still missing
Source file: exlda.f
Parameter Variables Used INTEGER MAXNO (MAXNO = 29999) INTEGER MAXORB (MAXORB = 20) REAL*8 CONST13 (CONST13 = 1.D0/3.D0) REAL*8 CONST43 (CONST43 = 4.D0/3.D0) REAL*8 CONST53 (CONST53 = 5.D0/3.D0) REAL*8 CONST98 (CONST98 = 9.D0/8.D0)
Local Variables (+ indicates altered content) INTEGER +J, +JJ, +JP, +K INTEGER +M REAL*8 +D, +FDFTEN, +RHOT, +Y243
Referenced Common Block Variables (+ indicates altered content) CONST REAL*8 PII, THREE MCOMMBLOCK REAL*8 P(MAXORB,MAXNO) MCOMMBLOCK REAL*8 R(MAXNO) PARAM INTEGER NO, NWF PARAM REAL*8 H1 PARAM1 REAL*8 D0, D1 PARAM1 REAL*8 D2 REL REAL*8 +VDFT(MAXNO) REL REAL*8 XALPHA STATE REAL*8 QC(MAXORB,40)