Argument Definitions (+ indicates altered content) REAL*8 +EXCP(*), F2(*), F4(*), +POT(*) REAL*8 PSI(*), WK0(*)
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. * * ### initPot ### This routine initializes Coulomb using the Thomas-Fermi model and exchange potentials via the local exchange or 1/r approximation
Source file: initPot.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 GENERIC*8 ABS
External Functions and Subroutines Called REAL*8 POTTF SUBROUTINE COPY, PREPWEXCH, PROD, SLATERP SUBROUTINE WTDEXCH, ZEROARRAY
Local Variables (+ indicates altered content) INTEGER +I3BEG, +IGP, +IMU, +IN INTEGER +INIOFF, +IORB, +IORB1, +IORB2 INTEGER +IORB2T, +IREC, +ISHIFT, +K INTEGER +NGRID REAL*8 +CH1, +CH2, +CRT1, +CRT2 REAL*8 +EZ1, +EZ2, +RA1, +RA2 REAL*8 +SLIM, +VETAT, +VXIT, +ZC1 REAL*8 +ZC2
Referenced Common Block Variables (+ indicates altered content) ADDRESS1 INTEGER I1B(60), +I3B(1830) ADDRESS3 INTEGER I1SI(60), I3SI(1830) ADDRESS6 INTEGER I3BREC(60,60) ADDRESS6 INTEGER I3BRECK(60,60) ADDRESS6 INTEGER I3NEXCP(60) ADDRESS6 INTEGER I3XPAIR(60,60) ADDRESS6 INTEGER IWEXCH(1860) COMPATAB INTEGER ILC(1830) CONFIG INTEGER NORB CONSFP REAL*8 PRECIS CONSINT INTEGER IONE GRIDI INTEGER MXNMU, NNI GRIDR REAL*8 VETA(1500) GRIDR REAL*8 VXI(2500) HYDINI REAL*8 CO1(60), CO2(60) HYDINI REAL*8 EZA1(60), EZA2(60) IADDRESS7 INTEGER I3ORB2(1860) INPUTD1 INTEGER IFORM, IMETHOD INPUTD1 INTEGER INI INPUTD2 REAL*8 R LENGTHS INTEGER LENGTH3 ORBIT INTEGER LL(60)