Argument Definitions (+ indicates altered content) REAL*8 A, C, D, P REAL*8 X
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. * * ### qvwn ### Calculates q function of VWN functional (see http://wild.life.nctu.edu.tw/~jsyu/molpro2002.1/doc/manual/node184.html)
Source file: dftauxfun.f
Intrinsic Functions Called GENERIC*8 ATAN GENERIC*4 LOG GENERIC*8 SQRT
Local Variables (+ indicates altered content) REAL*8 +ARCTAN, +QCAP, +T1, +T2 REAL*8 +T3, +XCAP
Referenced Common Block Variables (+ indicates altered content) CONSFP REAL*8 FOUR, TWO
Argument Definitions (+ indicates altered content) REAL*8 A, C, D, P REAL*8 X
Description ### qvwnderx ### Calculates dq/dx of the VWN functional
Source file: dftauxfun.f
Intrinsic Functions Called GENERIC*8 SQRT
Local Variables (+ indicates altered content) REAL*8 +QCAP, +QCAP2, +T1, +T2 REAL*8 +T3, +T4, +XCAP, +XCAPDER REAL*8 +XCAPDER2, +XCAPP
Referenced Common Block Variables (+ indicates altered content) CONSFP REAL*8 FOUR, TWO
Argument Definitions (+ indicates altered content) REAL*8 S
Description ### ff ### Calculates F(s) (see fpw86sup)
Source file: dftauxfun.f
External Functions and Subroutines Called REAL*8 FFBAR
Parameter Variables Used REAL*8 CONST115 (CONST115 = 1.D0/15.D0)
Argument Definitions (+ indicates altered content) REAL*8 S
Description ### ffbar ### Calculates Fbar(s) (see fpw86sup)
Source file: dftauxfun.f
Parameter Variables Used REAL*8 A (A = 1.296D0) REAL*8 B (B = 14.D0) REAL*8 C (C = 0.2D0)
Local Variables (+ indicates altered content) REAL*8 +S2
Argument Definitions (+ indicates altered content) REAL*8 S
Description ### ffbarp ### Calculates Fbar(s) prime (see fpw86sup)
Source file: dftauxfun.f
Parameter Variables Used REAL*8 A (A = 1.296D0) REAL*8 B (B = 14.D0) REAL*8 C (C = 0.2D0)
Local Variables (+ indicates altered content) REAL*8 +S2
Argument Definitions (+ indicates altered content) REAL*8 S
Description ### ffp ### Calculates dF(s)/ds (see fpw86sup)
Source file: dftauxfun.f
External Functions and Subroutines Called REAL*8 FFBAR, FFBARP
Parameter Variables Used REAL*8 CONST115 (CONST115 = 1.D0/15.D0)
Local Variables (+ indicates altered content) REAL*8 +S2
Argument Definitions (+ indicates altered content) REAL*8 S
Description ### ffdp ### Calculates d(1/s dF(s)/ds)/ds (see fpw86sup)
Source file: dftauxfun.f
External Functions and Subroutines Called REAL*8 FFBAR, FFBARP
Parameter Variables Used REAL*8 CONST115 (CONST115 = 1.D0/15.D0) REAL*8 B (B = 14.D0) REAL*8 C (C = 0.2D0)
Local Variables (+ indicates altered content) REAL*8 +S2