CASINO manual - Theory of Condensed Matter

1000.0
rho_a(G)*rho_b(-G)
16.0
4.12345
...
1.0123
END SET 1
START SET 2
Types of particles in pair
1 2
...
END SET 2
START SET 3
Types of particles in pair
2 2
...
END SET 3
Number of sets for spin density part
2
START SET 1
Particle type
1
Total weight
1000.0
Complex spin density coefficients (real part, imaginary part)
4.0 0.0
0.12345 0.0
...
1.0 0.0
END SET 1
START SET 2
Particle type
2
...
END SET 2
Total weight
expval_sden_weight_total
Complex spin density coefficients (real part, imaginary part)
Re{expval_sden_total(1)} Im{expval_sden_total(1)}
END STRUCTURE FACTOR
START SPHERICAL STRUCTURE FACTOR
Accumulation carried out using
VMC/DMC
Radial k point grid : (k1, k2, nk)
0.d0 10.d0 11
Number of sets
1
START SET 1
Particle type
1
Total weight
expval_sf_sph_weight_total
k, SF(k)
0.d0 0.0
1.d0 0.12345
...
10.d0 1.0
END SET 1
END SPHERICAL STRUCTURE FACTOR
START ONE-PARTICLE DENSITY MATRIX
Accumulation carried out using
VMC
Number of sets
97