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Non-self-consistent RPA correlation energy
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Started at:   Wed Oct 28 00:11:15 2026

Atoms                          : Si2
Ground state XC functional     : PBE
Valence electrons              : 8
Number of bands                : 16
Number of spins                : 1
Number of k-points             : 8
Number of irreducible k-points : 3
Number of irreducible q-points : 3

    q: [0.0000 0.0000 0.0000] - weight: 0.125
    q: [0.5000 0.5000 0.0000] - weight: 0.375
    q: [0.5000 0.5000 0.5000] - weight: 0.500

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Analytical coupling constant integration

Frequencies
    Gauss-Legendre integration with 8 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          : 1
    G-vector decomposition        : 1
    K-point/band decomposition    : 1

Response function bands : 16
Plane wave cutoffs (eV) : 20.000 30.000 50.000
No Coulomb truncation

# 0  -  00:11:15
q = [0.000 0.000 0.000]
E_cut = 20 eV / Bands = 9:
E_c(q) = -33.916 eV
E_cut = 30 eV / Bands = 15:
E_c(q) = -36.292 eV
E_cut = 50 eV / Bands = 16:
E_c(q) = -36.788 eV

# 1  -  00:11:16
q = [0.500 0.500 0.000]
E_cut = 20 eV / Bands = 6:
E_c(q) = -0.836 eV
E_cut = 30 eV / Bands = 14:
E_c(q) = -4.998 eV
E_cut = 50 eV / Bands = 16:
E_c(q) = -6.253 eV

# 2  -  00:11:16
q = [0.500 0.500 0.500]
E_cut = 20 eV / Bands = 8:
E_c(q) = -1.939 eV
E_cut = 30 eV / Bands = 14:
E_c(q) = -5.297 eV
E_cut = 50 eV / Bands = 16:
E_c(q) = -6.354 eV

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Total correlation energy:
    20:   -5.5221 eV
    30:   -9.0595 eV
    50:   -10.1204 eV

Extrapolated energies:
    20 -  30:  -13.285 eV
    30 -  50:  -11.042 eV

Calculation completed at:  Wed Oct 28 00:11:17 2026

Timing:                                incl.     excl.
-------------------------------------------------------------
RPA:                                   1.788     0.007   0.3% |
 chi0(q):                              1.781     0.453  18.4% |------|
  Calculate CHI_0:                     1.328     0.843  34.3% |-------------|
   Get eigenvalues:                    0.009     0.009   0.4% |
   Get kpoints:                        0.022     0.022   0.9% |
   Get matrix element:                 0.310     0.056   2.3% ||
    Get kpoint pair:                   0.145     0.007   0.3% |
     fft indices:                      0.005     0.005   0.2% |
     get k-points:                     0.134     0.000   0.0% |
      Get a k-point:                   0.133     0.007   0.3% |
       Load projections:               0.029     0.029   1.2% |
       load wfs:                       0.098     0.098   4.0% |-|
    get_optical_pair_density_head:     0.051     0.004   0.1% |
     Optical limit:                    0.048     0.008   0.3% |
      Derivatives:                     0.040     0.040   1.6% ||
    get_pair_density:                  0.058     0.002   0.1% |
     conj:                             0.002     0.002   0.1% |
     paw:                              0.054     0.010   0.4% |
      Calculate pair-densities:        0.044     0.011   0.5% |
       fft:                            0.028     0.028   1.1% |
       gemm:                           0.006     0.006   0.2% |
   symmetrize_wGG:                     0.142     0.142   5.8% |-|
Other:                                 0.671     0.671  27.3% |----------|
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Total:                                           2.459 100.0%

Wed Oct 28 00:11:17 2026
