Argument Definitions (+ indicates altered content) REAL*8 F4(*), GRHOT(*), GRHOTDOWN(*) REAL*8 GRHOTUP(*), PSI(*), RHOT(*) REAL*8 RHOTDOWN(*), RHOTUP(*), WK0(*) REAL*8 WK1(*), WK2(*), WK3(*), WK4(*) REAL*8 WK5(*), 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. * * ### flypcs ### Calculates (and returns in wk2) the correlation potential of Lee, Yang and Parr (PRB 37 (1988) 785, eq.23, i.e. using the closed-shell formula.
Source file: flypcs.f
I/O Operations: Unit ID Unit No Access Form Operation * SEQ FMTD W Operation codes A=rewind,B=backspace,C=close,E=endfile I=inquire,O=open,R=read,W=write
External Functions and Subroutines Called SUBROUTINE ADD, COPY, EXOCC, FLYPSUPCS SUBROUTINE PROD, PROD2, SCAL, ZEROARRAY
Local Variables (+ indicates altered content) INTEGER +IBORB, +IORB, +ISIORB, +NMUT REAL*8 OCDOWN, OCUP
Referenced Common Block Variables (+ indicates altered content) ADDRESS1 INTEGER I1B(60) ADDRESS3 INTEGER I1SI(60) ADDRESS5 INTEGER I1MU(60) CONFIG INTEGER NORB CONSINT INTEGER IONE GRIDI INTEGER MXSIZE