---------------------------------------------------------- Non-self-consistent RPA correlation energy ---------------------------------------------------------- Started at: Mon Jun 1 03:29:31 2026 Atoms : Si Ground state XC functional : PBE Valence electrons : 4 Number of bands : 11085 Number of spins : 2 Number of k-points : 1 Number of irreducible k-points : 1 Number of irreducible q-points : 1 q: [0.0000 0.0000 0.0000] - weight: 1.000 ---------------------------------------------------------- ---------------------------------------------------------- Analytical coupling constant integration Frequencies Gauss-Legendre integration with 16 frequency points Transformed from [0,oo] to [0,1] using e^[-aw^(1/B)] Highest frequency point at 800.0 eV and B=2.0 Parallelization Total number of CPUs : 16 G-vector decomposition : 16 K-point/band decomposition : 1 Response function bands : Equal to number of plane waves Plane wave cutoffs (eV) : 173.519 192.300 217.153 251.984 305.257 400.000 No Coulomb truncation # 0 - 03:29:31 q = [0.000 0.000 0.000] E_cut = 173 eV / Bands = 2645: E_c(q) = -4.387 eV E_cut = 192 eV / Bands = 3069: E_c(q) = -4.409 eV E_cut = 217 eV / Bands = 3759: E_c(q) = -4.435 eV E_cut = 251 eV / Bands = 4641: E_c(q) = -4.457 eV E_cut = 305 eV / Bands = 6211: E_c(q) = -4.481 eV E_cut = 400 eV / Bands = 9301: E_c(q) = -4.507 eV ========================================================== Total correlation energy: 174: -4.3873 eV 192: -4.4093 eV 217: -4.4345 eV 252: -4.4566 eV 305: -4.4812 eV 400: -4.5068 eV Extrapolated energies: 174 - 192: -4.541 eV 192 - 217: -4.561 eV 217 - 252: -4.545 eV 252 - 305: -4.555 eV 305 - 400: -4.558 eV Calculation completed at: Mon Jun 1 06:04:50 2026 Timing: incl. excl. ------------------------------------------------------------- RPA: 9319.220 0.012 0.0% | chi0(q): 9319.208 7432.249 79.7% |-------------------------------| Calculate CHI_0: 1886.959 1559.606 16.7% |------| Get eigenvalues: 0.006 0.006 0.0% | Get kpoints: 0.010 0.010 0.0% | Get matrix element: 301.333 5.510 0.1% | Get kpoint pair: 118.167 0.003 0.0% | fft indices: 0.003 0.003 0.0% | get k-points: 118.161 0.000 0.0% | Get a k-point: 118.161 0.213 0.0% | Load projections: 0.014 0.014 0.0% | load wfs: 117.934 117.934 1.3% || get_optical_pair_density_head: 23.644 0.012 0.0% | Optical limit: 23.633 12.435 0.1% | Derivatives: 11.197 11.197 0.1% | get_pair_density: 154.011 0.002 0.0% | conj: 0.020 0.020 0.0% | paw: 153.989 6.740 0.1% | Calculate pair-densities: 147.249 9.573 0.1% | all_gather: 98.535 98.535 1.1% | fft: 37.668 37.668 0.4% | gemm: 1.473 1.473 0.0% | symmetrize_wGG: 26.003 26.003 0.3% | Other: 2.437 2.437 0.0% | ------------------------------------------------------------- Total: 9321.657 100.0% Mon Jun 1 06:04:50 2026