mirror of
https://github.com/triqs/dft_tools
synced 2024-10-31 19:23:45 +01:00
38d89e2d01
- introducing scalar_valued gf - Change Fourier routines to run on scalar_valued, and then use those routines to run on matrix_valued. - Tools for slices of 2 variables functions
65 lines
2.3 KiB
C++
65 lines
2.3 KiB
C++
//#define TRIQS_ARRAYS_ENFORCE_BOUNDCHECK
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#include <triqs/gf/imfreq.hpp>
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#include <triqs/gf/imtime.hpp>
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#include <triqs/gf/local/fourier_matsubara.hpp>
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namespace tql= triqs::clef;
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// namespace tqa= triqs::arrays;
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// using tqa::range;
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using triqs::arrays::make_shape;
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using triqs::gf::Fermion;
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using triqs::gf::imfreq;
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using triqs::gf::imtime;
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using triqs::gf::make_gf;
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using triqs::arrays::range;
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#define TEST(X) std::cout << BOOST_PP_STRINGIZE((X)) << " ---> "<< (X) <<std::endl<<std::endl;
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int main() {
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double precision=10e-9;
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H5::H5File file("test_fourier_matsubara.h5",H5F_ACC_TRUNC);
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triqs::clef::placeholder<0> om_;
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double beta =1;
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int N=10000;
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double E=1;
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auto Gw1 = make_gf<imfreq> (beta, Fermion, make_shape(1,1), N);
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Gw1(om_) << 1/(om_-E);
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// for(auto const& w:Gw1.mesh()){
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// std::cout<<"w="<<std::complex<double>(w)<<", Gw1=" << Gw1(w)(0,0)<<std::endl;
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// }
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h5_write(file, "Gw1", Gw1); // the original lorentzian
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auto Gt1 = make_gf<imtime> (beta, Fermion, make_shape(1,1), N);
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inverse_fourier_impl( Gt1, Gw1, triqs::gf::matrix_valued() );
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// for(auto const& t:Gt1.mesh()){
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// std::cout<<"t="<<t<<", expected="<<exp(-E*t) * ( (t>0?-1:0)+1/(1+exp(E*beta)) )<<std::endl;
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// }
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h5_write(file, "Gt1", Gt1); // the lorentzian TF : lorentzian_inverse
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///verification that TF(TF^-1)=Id
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auto Gw1b = make_gf<imfreq> (beta, Fermion, make_shape(1,1), N);
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fourier_impl(Gw1b, Gt1, triqs::gf::matrix_valued());
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for(auto const& w:Gw1.mesh()){
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// std::cout<<"w="<<std::complex<double>(w)<<",Gw1b=" << Gw1b(w)(0,0)<<std::endl;
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// std::cout<<"w="<<std::complex<double>(w)<<",Delta Gw1b=" << Gw1b(w)(0,0)-Gw1(w)(0,0)<<std::endl;
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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";
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}
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h5_write(file,"Gw1b",Gw1b); // must be 0
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///verification that the TF is OK
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for(auto const & t:Gt1.mesh()){
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Gt1(t)-= exp(-E*t) * ( (t>0?-1:0)+1/(1+exp(E*beta)) );
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if ( std::abs(Gt1(t)(0,0)) > precision) TRIQS_RUNTIME_ERROR<<" fourier_matsubara error : t="<<t<<" ,G1="<<std::abs(Gt1(t)(0,0))<<"\n";
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}
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h5_write(file,"Gt1b",Gt1); // must be 0
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///to verify that lazy_fourier computes
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auto Gw2 = make_gf<imfreq> (beta, Fermion, make_shape(1,1));
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Gw2() = lazy_fourier(Gt1);
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}
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