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#include <stdio.h>
#include <math.h>
#include "openmx_common.h"
double Nonlocal_RadialF(int spe, int l, int so, double R)
{
int mp_min,mp_max,m,po;
double h1,h2,h3,f1,f2,f3,f4;
double g1,g2,x1,x2,y1,y2,f;
double result;
mp_min = 0;
mp_max = Spe_Num_Mesh_VPS[spe] - 1;
po = 0;
if (R<Spe_VPS_RV[spe][0]){
if (Spe_VPS_List[spe][l+1]==0){
m = 1;
}
else{
result = 0.0;
po = 1;
}
}
else if (Spe_VPS_RV[spe][Spe_Num_Mesh_VPS[spe]-1]<R){
result = 0.0;
po = 1;
}
else{
do{
m = (mp_min + mp_max)/2;
if (Spe_VPS_RV[spe][m]<R)
mp_min = m;
else
mp_max = m;
}
while((mp_max-mp_min)!=1);
m = mp_max;
}
/****************************************************
Spline like interpolation
****************************************************/
if (po==0){
if (m==1){
h2 = Spe_VPS_RV[spe][m] - Spe_VPS_RV[spe][m-1];
h3 = Spe_VPS_RV[spe][m+1] - Spe_VPS_RV[spe][m];
f2 = Spe_VNL[so][spe][l][m-1];
f3 = Spe_VNL[so][spe][l][m];
f4 = Spe_VNL[so][spe][l][m+1];
h1 = -(h2+h3);
f1 = f4;
}
else if (m==(Spe_Num_Mesh_VPS[spe]-1)){
h1 = Spe_VPS_RV[spe][m-1] - Spe_VPS_RV[spe][m-2];
h2 = Spe_VPS_RV[spe][m] - Spe_VPS_RV[spe][m-1];
f1 = Spe_VNL[so][spe][l][m-2];
f2 = Spe_VNL[so][spe][l][m-1];
f3 = Spe_VNL[so][spe][l][m];
h3 = -(h1+h2);
f4 = f1;
}
else{
h1 = Spe_VPS_RV[spe][m-1] - Spe_VPS_RV[spe][m-2];
h2 = Spe_VPS_RV[spe][m] - Spe_VPS_RV[spe][m-1];
h3 = Spe_VPS_RV[spe][m+1] - Spe_VPS_RV[spe][m];
f1 = Spe_VNL[so][spe][l][m-2];
f2 = Spe_VNL[so][spe][l][m-1];
f3 = Spe_VNL[so][spe][l][m];
f4 = Spe_VNL[so][spe][l][m+1];
}
/****************************************************
Calculate the value at R
****************************************************/
g1 = ((f3-f2)*h1/h2 + (f2-f1)*h2/h1)/(h1+h2);
g2 = ((f4-f3)*h2/h3 + (f3-f2)*h3/h2)/(h2+h3);
x1 = R - Spe_VPS_RV[spe][m-1];
x2 = R - Spe_VPS_RV[spe][m];
y1 = x1/h2;
y2 = x2/h2;
f = y2*y2*(3.0*f2 + h2*g1 + (2.0*f2 + h2*g1)*y2)
+ y1*y1*(3.0*f3 - h2*g2 - (2.0*f3 - h2*g2)*y1);
result = f;
}
return result;
}
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