#include <math.h>
#include <stdio.h>
#include "functionals.h"
Defines | |
#define | _XOPEN_SOURCE 600 |
#define | _XOPEN_SOURCE_EXTENDED 1 |
#define | __CVERSION__ |
Functions | |
static int | pw86x_isgga (void) |
static int | pw86x_read (const char *conf_line) |
static real | pw86x_energy (const FunDensProp *dp) |
static void | pw86x_first (FunFirstFuncDrv *ds, real factor, const FunDensProp *dp) |
Variables | |
Functional | PW86xFunctional |
Contributed by Olav Fossgaard, olav@chem.uit.no, May 2002
Reference: Phys. Rev. B 33. 8800 (1986)
#define __CVERSION__ |
#define _XOPEN_SOURCE 600 |
#define _XOPEN_SOURCE_EXTENDED 1 |
static real pw86x_energy | ( | const FunDensProp * | dp | ) | [static] |
static void pw86x_first | ( | FunFirstFuncDrv * | ds, | |
real | factor, | |||
const FunDensProp * | dp | |||
) | [static] |
static int pw86x_isgga | ( | void | ) | [static] |
static int pw86x_read | ( | const char * | conf_line | ) | [static] |
Initial value:
{ "PW86x", pw86x_isgga, pw86x_read, NULL, pw86x_energy, pw86x_first, NULL, NULL }