1c Correlation energy and potential as determined via the local 2c density functional of Vosko, Wilk and Nusair (Can. J. of Phys. 58, 3c 1200 (1980)), functional V. 4* 5* $Id$ 6* 7#define FNL_VWN_5 8c xc_vwn_a contains the restricted calculation stuff. 9#include "xc_vwn_a.fh" 10c 11c Compute the function deltaEc(rs,zeta) function and its derivatives 12c wrt rs and zeta for the spin-unrestricted case - the rest has the 13c same form for all VWN functionals and is handled in the header files. 14c 15 dec_rsz = devwn_rsz 16 d1dec_rsz(1) = d1devwn_rsz(1) 17 d1dec_rsz(2) = d1devwn_rsz(2) 18#ifdef SECOND_DERIV 19 d2dec_rsz(1) = d2devwn_rsz(1) 20 d2dec_rsz(2) = d2devwn_rsz(2) 21 d2dec_rsz(3) = d2devwn_rsz(3) 22#endif 23#ifdef THIRD_DERIV 24 d3dec_rsz(1) = d3devwn_rsz(1) 25 d3dec_rsz(2) = d3devwn_rsz(2) 26 d3dec_rsz(3) = d3devwn_rsz(3) 27 d3dec_rsz(4) = d3devwn_rsz(4) 28#endif 29c 30c xc_vwn_a contains the unrestricted calculation stuff. 31#include "xc_vwn_b.fh" 32c 33#ifndef SECOND_DERIV 34#define SECOND_DERIV 35c 36c Compile source again for the 2nd derivative case 37c 38#include "xc_vwn_5.F" 39#endif 40#ifndef THIRD_DERIV 41#define THIRD_DERIV 42c 43c Compile source again for the 3rd derivative case 44c 45#include "xc_vwn_5.F" 46#endif 47