void compute_Tnl_legendre(int n_matsubara, int n_legendre, boost::multi_array<std::complex<double>,2> &Tnl) {
double sign_tmp = 1.0;
Tnl.resize(boost::extents[n_matsubara][n_legendre]);
for (int im = 0; im < n_matsubara; ++im) {
std::complex<double> ztmp(0.0, 1.0);
for (int il = 0; il < n_legendre; ++il) {
Tnl[im][il] = sign_tmp * ztmp * std::sqrt(2 * il + 1.0) * boost::math::sph_bessel(il, 0.5 * (2 * im + 1) * M_PI);
ztmp *= std::complex<double>(0.0, 1.0);
}
sign_tmp *= -1;
}
}
Zones(const bitmap &src, const unit_t window_size) :
_Zones( Zone::MetaPatchFor(src,window_size) ),
W( width.x ),
H( width.y )
{
_Zones &self = *this;
const vertex count(W,H);
for(unit_t j=0;j<H;++j)
{
for(unit_t i=0;i<W;++i)
{
const vertex indx(i,j);
Zone ztmp(src,indx,count);
bswap(ztmp,self[j][i]);
self[j][i].allocate();
}
}
}
inline void Band::set_fv_h_o_apw_lo(K_point* kp,
Atom_type const& type,
Atom const& atom,
int ia,
mdarray<double_complex, 2>& alm_row, // alm_row comes conjugated
mdarray<double_complex, 2>& alm_col,
mdarray<double_complex, 2>& h,
mdarray<double_complex, 2>& o) const
{
/* apw-lo block */
for (int i = 0; i < kp->num_atom_lo_cols(ia); i++) {
int icol = kp->lo_col(ia, i);
/* local orbital indices */
int l = kp->gklo_basis_descriptor_col(icol).l;
int lm = kp->gklo_basis_descriptor_col(icol).lm;
int idxrf = kp->gklo_basis_descriptor_col(icol).idxrf;
int order = kp->gklo_basis_descriptor_col(icol).order;
/* loop over apw components */
for (int j1 = 0; j1 < type.mt_aw_basis_size(); j1++) {
int lm1 = type.indexb(j1).lm;
int idxrf1 = type.indexb(j1).idxrf;
double_complex zsum = atom.radial_integrals_sum_L3<spin_block_t::nm>(idxrf, idxrf1, gaunt_coefs_->gaunt_vector(lm1, lm));
if (std::abs(zsum) > 1e-14) {
for (int igkloc = 0; igkloc < kp->num_gkvec_row(); igkloc++) {
h(igkloc, icol) += zsum * alm_row(igkloc, j1);
}
}
}
for (int order1 = 0; order1 < (int)type.aw_descriptor(l).size(); order1++) {
for (int igkloc = 0; igkloc < kp->num_gkvec_row(); igkloc++) {
o(igkloc, icol) += atom.symmetry_class().o_radial_integral(l, order1, order) *
alm_row(igkloc, type.indexb_by_lm_order(lm, order1));
}
}
}
std::vector<double_complex> ztmp(kp->num_gkvec_col());
/* lo-apw block */
for (int i = 0; i < kp->num_atom_lo_rows(ia); i++) {
int irow = kp->lo_row(ia, i);
/* local orbital indices */
int l = kp->gklo_basis_descriptor_row(irow).l;
int lm = kp->gklo_basis_descriptor_row(irow).lm;
int idxrf = kp->gklo_basis_descriptor_row(irow).idxrf;
int order = kp->gklo_basis_descriptor_row(irow).order;
std::memset(&ztmp[0], 0, kp->num_gkvec_col() * sizeof(double_complex));
/* loop over apw components */
for (int j1 = 0; j1 < type.mt_aw_basis_size(); j1++) {
int lm1 = type.indexb(j1).lm;
int idxrf1 = type.indexb(j1).idxrf;
double_complex zsum = atom.radial_integrals_sum_L3<spin_block_t::nm>(idxrf1, idxrf, gaunt_coefs_->gaunt_vector(lm, lm1));
if (std::abs(zsum) > 1e-14) {
for (int igkloc = 0; igkloc < kp->num_gkvec_col(); igkloc++) {
ztmp[igkloc] += zsum * alm_col(igkloc, j1);
}
}
}
for (int igkloc = 0; igkloc < kp->num_gkvec_col(); igkloc++) {
h(irow, igkloc) += ztmp[igkloc];
}
for (int order1 = 0; order1 < (int)type.aw_descriptor(l).size(); order1++) {
for (int igkloc = 0; igkloc < kp->num_gkvec_col(); igkloc++) {
o(irow, igkloc) += atom.symmetry_class().o_radial_integral(l, order, order1) *
alm_col(igkloc, type.indexb_by_lm_order(lm, order1));
}
}
}
}
