Argument Definitions (+ indicates altered content) INTEGER IORB REAL*8 E(*), EXCP(*), F0(*), F1(*) REAL*8 F2(*), F4(*), FOCK1(*), +FOCK2(*) REAL*8 POT(*), PSI(*), WK10(*), WK11(*) REAL*8 WK12(*), WK13(*), +WK2(*), WK3(*) REAL*8 WK4(*), WK5(*), WK6(*), WK7(*) REAL*8 WK8(*), WK9(*)
Description * Copyright (C) 1996 Leif Laaksonen, Dage Sundholm * Copyright (C) 1996-2010 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. * * ### fockDFT ### Calculates the exchange potentials as the local Slater approximation.
Source file: fockDFT.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
Intrinsic Functions Called DOUBLE PRECISION DBLE
External Functions and Subroutines Called REAL*8 FDFTPOT SUBROUTINE ADD, AXPY, COPY, EXOCC SUBROUTINE FBE88, FLYPCS, FPW86, FVWNCS SUBROUTINE PROD, PRODAS, ZEROARRAY
Parameter Variables Used REAL*8 CONST13 (CONST13 = 1.D0/3.D0)
Local Variables (+ indicates altered content) INTEGER +I, +IBORB, +IBORB1, +IBPOT INTEGER +IBPOT1, +IORB1, +IPC, +ISIORB1 INTEGER +NGORB, +NGORB1, +NGPOT, +NGPOT1 INTEGER +NORB2 REAL*8 OCDOWN, OCUP, +TMPF, +W
Referenced Common Block Variables (+ indicates altered content) ADDRESS1 INTEGER I1B(60), I2B(60) ADDRESS3 INTEGER I1SI(60), I2SI(60) CONFIG INTEGER NEL, NORB CONSINT INTEGER IONE ENERG REAL*8 ENG(60) GRIDI INTEGER MXSIZE LENGTHS INTEGER LENGTH3 NOENG REAL*8 ENGO(3600) ORBIT INTEGER MM(60) ORBITR REAL*8 OCC(60) SCFI INTEGER IDFTCORR, IDFTEX SCFR REAL*8 ALPHAF