int main(int argc, char* argv[]){
MPI_Init(&argc, &argv);
MPI_Comm_size(MPI_COMM_WORLD,&numprocs);
MPI_Comm_rank(MPI_COMM_WORLD,&myrank);
if(myrank==0){
cout << "starting program" << endl;
cout << "numprocs" << numprocs << endl;
}
time_t tStart = time(NULL);
kx = Q/2;
ky = 1.94643;
Nkpoints = 300;
wLower = E(0,M_PI);
wUpper = 0;
Nf = 50;
VectorXcd Epg = VectorXcd::Zero(2*Nf-1);
double norm;
double norm_private;
VectorXcd one = VectorXcd::Ones(2*Nf-1);
VectorXd wd = VectorXd::LinSpaced(2*Nf-1,wLower,wUpper);
VectorXcd w = VectorXcd::Zero(2*Nf-1);
for(int i=0; i<2*Nf-1; i++)
w[i]=wd[i];
while(true){
if (myrank==0){
cout << "Enter new D0_pg \n" << endl;
cin >> D0_pg;
D0_pg /= tval;
}
MPI_Bcast(&D0_pg, 1, MPI_DOUBLE, 0, MPI_COMM_WORLD);
if (D0_pg == 0){
MPI_Finalize();
return 0;
}
MPI_Barrier(MPI_COMM_WORLD);
if (1==1){ //pseudogap
Epg = VectorXcd::Zero(2*Nf-1);
norm = 0;
norm_private = 0;
if(myrank==0)
cout << endl << "Calculating pseudogap selfenergies..." << endl;
MPI_Barrier(MPI_COMM_WORLD);
//calc_phonon_selfenergy(kx, ky, Eph_private, Ephm_private);
calc_pseudogap_selfenergy(kx,ky,Epg,norm_private);
//set up double[] for reduction
complex<double> Epg_private_array[2*Nf-1];
complex<double> Epg_array[2*Nf-1];
for(int i=0;i<2*Nf-1;i++){
Epg_private_array[i] = Epg[i];
}
MPI_Reduce(&Epg_private_array, &Epg_array, 2*Nf-1, MPI_DOUBLE_COMPLEX, MPI_SUM, 0, MPI_COMM_WORLD);
MPI_Reduce(&norm_private, &norm, 1, MPI_DOUBLE, MPI_SUM, 0, MPI_COMM_WORLD);
if(myrank==0)
cout << "the norm is: " << norm << endl;
if (myrank==0){
for(int i=0;i<2*Nf-1;i++){
Epg[i] = Epg_array[i];
}
Epg /= norm;
cout<<"Time taken "<< time(NULL)-tStart<<endl;
ofstream myfile;
myfile.open("Epg.dat");
for (int i=0; i<2*Nf-1; i++){
myfile << real(Epg[i]) << " " << imag(Epg[i]) << endl;
}
myfile.close();
VectorXcd G = VectorXcd::Zero(2*Nf-1);
//VectorXd A = VectorXd::Zero(2*Nf-1);
double A[2*Nf-1];
G = one.cwiseQuotient(w + (1j*gammae + E(kx,ky))*one - Epg);
///A = -imag(G);
for (int i=0;i<2*Nf-1;i++){
A[i] = -imag(G[i]);
cout << A[i] << endl;
}
double* biggest;
double* first = A;
double* last = first + 2*Nf-1;
biggest = max_element(first,last);
cout << "freq at max " << w[distance(first,biggest)]*tval << endl;
//double maxIndex;
//G.maxCoeff(&maxIndex);
//cout << maxIndex << endl;
cout << endl << "Done With Program" << endl;
}
}
}
void calc_pseudogap_selfenergy(double kx,double ky, VectorXcd &Epg, double &norm){
MPI_Comm_rank(MPI_COMM_WORLD,&myrank);
int namelen;
char processor_name[MPI_MAX_PROCESSOR_NAME];
MPI_Get_processor_name(processor_name, &namelen);
cout << "hello rank " << myrank << " " << processor_name << endl;
VectorXcd one = VectorXcd::Ones(2*Nf-1);
VectorXd wd = VectorXd::LinSpaced(2*Nf-1,wLower,wUpper);
VectorXcd w = VectorXcd::Zero(2*Nf-1);
for(int i=0; i<2*Nf-1; i++)
w[i]=wd[i];
int Nk = Nkpoints;
double totalN = pow(2*Nk,2)*(2*Nkz);
if (Nkz==1)
totalN = pow(2*Nk,2);
double pgap = PseudoGap(kx,ky);
complex<double> i1(0.0,1.0);
double qx,qy,qz,px,py,pofq,Energy;
for (int q1=-Nk+myrank; q1<Nk; q1+=numprocs){ //BZ momentum loop
qx = M_PI*q1/Nk;
for(int q2=-Nk; q2<Nk; q2++){
qy = M_PI*q2/Nk;
if (Nkz==1){
px = kx - qx;
py = ky - qy;
Energy = E(px,py);
pofq = 1.0/M_PI*gammacdw/(pow(gammacdw,2)+pow(qx-Q,2)+pow(qy,2)) + 1.0/M_PI*gammacdw/(pow(gammacdw,2)+pow(qx+Q,2)+pow(qy,2)) + 1.0/M_PI*gammacdw/(pow(gammacdw,2)+pow(qx,2)+pow(qy-Q,2)) + 1.0/M_PI*gammacdw/(pow(gammacdw,2)+pow(qx,2)+pow(qy+Q,2));
//pofq = 1.0/M_PI*gammacdw/(pow(gammacdw,2)+pow(qx-Q,2)+pow(qy,2)) + 1.0/M_PI*gammacdw/(pow(gammacdw,2)+pow(qx+Q,2)+pow(qy,2));
Epg += pgap*pofq*one.cwiseQuotient(w-one*E(px,py)+i1*gammae*one)/totalN;
norm += pofq/totalN;
}
else{
for(int q3=-Nkz; q3<Nkz; q3++){
qz = M_PI*q3/Nkz;
px = kx - qx;
py = ky - qy;
pofq = 1.0/M_PI*gammacdw/(pow(gammacdw,2)+pow(qx-Q,2)+pow(qy,2)) + 1.0/M_PI*gammacdw/(pow(gammacdw,2)+pow(qx+Q,2)+pow(qy,2)) + 1.0/M_PI*gammacdw/(pow(gammacdw,2)+pow(qx,2)+pow(qy-Q,2)) + 1.0/M_PI*gammacdw/(pow(gammacdw,2)+pow(qx,2)+pow(qy+Q,2));
//pofq = 1.0/M_PI*gammacdw/(pow(gammacdw,2)+pow(qx-Q,2)+pow(qy,2)) + 1.0/M_PI*gammacdw/(pow(gammacdw,2)+pow(qx+Q,2)+pow(qy,2));
Epg += pgap*pofq*one.cwiseQuotient(w-one*(E(px,py)-2*tz*cos(qz))+i1*gammae*one)/totalN;
norm += pofq/totalN;
}
}
}
} // end BZ loop
}