NVLatticeSite

class NVLatticeSite(type, n1, n2, n3, n4, x_lattice, y_lattice, z_lattice, x_dft, y_dft, z_dft, displacement, distance_from_lattice_center, Axx, Ayy, Azz, Axy, Axz, Ayz)

Single NV lattice-site entry.

The entry stores the lattice indices, the ideal and DFT positions, and the associated hyperfine tensor data for a single site.

Parameters:

• type (str) – Site type (‘C’, ‘N’, or ‘V’).

• n1 (int) – First lattice index.

• n2 (int) – Second lattice index.

• n3 (int) – Third lattice index.

• n4 (int) – Basis-site index within the primitive cell.

• x_lattice (float) – Ideal lattice x-coordinate in nanometers.

• y_lattice (float) – Ideal lattice y-coordinate in nanometers.

• z_lattice (float) – Ideal lattice z-coordinate in nanometers.

• x_dft (float) – Relaxed DFT x-coordinate in nanometers.

• y_dft (float) – Relaxed DFT y-coordinate in nanometers.

• z_dft (float) – Relaxed DFT z-coordinate in nanometers.

• displacement (float) – Euclidean distance between lattice and DFT positions in nanometers.

• distance_from_lattice_center (float) – Distance from the ideal NV lattice center in nanometers.

• Axx (float) – Hyperfine tensor xx-component in MHz.

• Ayy (float) – Hyperfine tensor yy-component in MHz.

• Azz (float) – Hyperfine tensor zz-component in MHz.

• Axy (float) – Hyperfine tensor xy-component in MHz.

• Axz (float) – Hyperfine tensor xz-component in MHz.

• Ayz (float) – Hyperfine tensor yz-component in MHz.