Argument Definitions (+ indicates altered content) REAL*8 GRHOT(*), GRHOTDOWN(*), GRHOTUP(*) REAL*8 PSI(*), RHOT(*), +RHOTDOWN(*) REAL*8 +RHOTUP(*), WGT2(*), +WK0(*), +WK1(*) REAL*8 +WK2(*), WK3(*), +WK4(*), WK5(*) REAL*8 +WK6(*), +WK7(*)
Description * Copyright (C) 2010 Jacek Kobus* * This program is free software; you can redistribute it and/or modify * it under the terms of the GNU General Public License version 2 as * published by the Free Software Foundation. * * ### eclyptot ### Calculates correlation energy according to Lee, Yang, Prr (PRB 37 (1988) 785-789)
Source file: eclyp.f
Intrinsic Functions Called GENERIC*8 ABS, EXP
External Functions and Subroutines Called REAL*8 DOT, RHO SUBROUTINE ADD, COPY, EXOCC, MULTF4 SUBROUTINE N2F, NFNG, PROD2, SCAL
Parameter Variables Used REAL*8 CONST13 (CONST13 = 1.D0/3.D0) REAL*8 CONST83 (CONST83 = 8.D0/3.D0) REAL*8 CONST23 (CONST23 = 2.D0/3.D0) REAL*8 CONST53 (CONST53 = 5.D0/3.D0) REAL*8 CONST19 (CONST19 = 1.D0/9.D0) REAL*8 CONST118 (CONST118 = 1.D0/18.D0) REAL*8 A (A = 0.04918D0) REAL*8 B (B = 0.132D0) REAL*8 C (C = 0.2533D0) REAL*8 D (D = 0.349D0)
Local Variables (+ indicates altered content) INTEGER +I, +IBORB, +IORB, +ISIORB INTEGER +NMUT REAL*8 +CF, OCDOWN, OCUP, +T1 REAL*8 +T2, +T3, W7
Referenced Common Block Variables (+ indicates altered content) ADDRESS1 INTEGER I1B(60) ADDRESS3 INTEGER I1SI(60) ADDRESS5 INTEGER I1MU(60) CONFIG INTEGER NORB CONSFP REAL*8 ONE, PII CONSFP REAL*8 PRECIS, THREE CONSFP REAL*8 TWO CONSINT INTEGER IONE GRIDI INTEGER MXSIZE