mirror of
https://github.com/triqs/dft_tools
synced 2024-11-01 03:33:50 +01:00
65 lines
2.3 KiB
C++
65 lines
2.3 KiB
C++
|
//#define TRIQS_ARRAYS_ENFORCE_BOUNDCHECK
|
||
|
|
|
||
|
|
#include <triqs/gf/imfreq.hpp>
|
||
|
|
#include <triqs/gf/imtime.hpp>
|
||
|
|
#include <triqs/gf/local/fourier_matsubara.hpp>
|
||
|
|
|
||
|
|
namespace tql= triqs::clef;
|
||
|
|
// namespace tqa= triqs::arrays;
|
||
|
|
// using tqa::range;
|
||
|
|
using triqs::arrays::make_shape;
|
||
|
|
using triqs::gf::Fermion;
|
||
|
|
using triqs::gf::imfreq;
|
||
|
|
using triqs::gf::imtime;
|
||
|
|
using triqs::gf::make_gf;
|
||
|
|
using triqs::arrays::range;
|
||
|
|
#define TEST(X) std::cout << BOOST_PP_STRINGIZE((X)) << " ---> "<< (X) <<std::endl<<std::endl;
|
||
|
|
|
||
|
|
int main() {
|
||
|
|
|
||
|
|
double precision=10e-9;
|
||
|
|
H5::H5File file("test_fourier_matsubara.h5",H5F_ACC_TRUNC);
|
||
|
|
triqs::clef::placeholder<0> om_;
|
||
|
|
double beta =1;
|
||
|
|
int N=10000;
|
||
|
|
double E=1;
|
||
|
|
|
||
|
|
auto Gw1 = make_gf<imfreq> (beta, Fermion, make_shape(1,1), N);
|
||
|
|
Gw1(om_) << 1/(om_-E);
|
||
|
|
// for(auto const& w:Gw1.mesh()){
|
||
|
|
// std::cout<<"w="<<std::complex<double>(w)<<", Gw1=" << Gw1(w)(0,0)<<std::endl;
|
||
|
|
// }
|
||
|
|
h5_write(file, "Gw1", Gw1); // the original lorentzian
|
||
|
|
|
||
|
|
auto Gt1 = make_gf<imtime> (beta, Fermion, make_shape(1,1), N);
|
||
|
|
inverse_fourier_impl( Gt1, Gw1, triqs::gf::matrix_valued() );
|
||
|
|
// for(auto const& t:Gt1.mesh()){
|
||
|
|
// std::cout<<"t="<<t<<", expected="<<exp(-E*t) * ( (t>0?-1:0)+1/(1+exp(E*beta)) )<<std::endl;
|
||
|
|
// }
|
||
|
|
h5_write(file, "Gt1", Gt1); // the lorentzian TF : lorentzian_inverse
|
||
|
|
|
||
|
|
///verification that TF(TF^-1)=Id
|
||
|
|
auto Gw1b = make_gf<imfreq> (beta, Fermion, make_shape(1,1), N);
|
||
|
|
fourier_impl(Gw1b, Gt1, triqs::gf::matrix_valued());
|
||
|
|
for(auto const& w:Gw1.mesh()){
|
||
|
|
// std::cout<<"w="<<std::complex<double>(w)<<",Gw1b=" << Gw1b(w)(0,0)<<std::endl;
|
||
|
|
// std::cout<<"w="<<std::complex<double>(w)<<",Delta Gw1b=" << Gw1b(w)(0,0)-Gw1(w)(0,0)<<std::endl;
|
||
|
|
if ( std::abs(Gw1b(w)(0,0)-Gw1(w)(0,0)) > precision) TRIQS_RUNTIME_ERROR<<" fourier_matsubara error : w="<<std::complex<double>(w)<<" ,Gw1b="<<std::abs(Gw1b(w)(0,0))<<"\n";
|
||
|
|
}
|
||
|
|
h5_write(file,"Gw1b",Gw1b); // must be 0
|
||
|
|
|
||
|
|
///verification that the TF is OK
|
||
|
|
for(auto const & t:Gt1.mesh()){
|
||
|
|
Gt1(t)-= exp(-E*t) * ( (t>0?-1:0)+1/(1+exp(E*beta)) );
|
||
|
|
if ( std::abs(Gt1(t)(0,0)) > precision) TRIQS_RUNTIME_ERROR<<" fourier_matsubara error : t="<<t<<" ,G1="<<std::abs(Gt1(t)(0,0))<<"\n";
|
||
|
|
}
|
||
|
|
h5_write(file,"Gt1b",Gt1); // must be 0
|
||
|
|
|
||
|
|
///to verify that lazy_fourier computes
|
||
|
|
auto Gw2 = make_gf<imfreq> (beta, Fermion, make_shape(1,1));
|
||
|
|
Gw2() = lazy_fourier(Gt1);
|
||
|
|
|
||
|
|
}
|
||
|
|
|
||
|
|
|