Orbital Magnetization Calculation

[shahid-sattar]

Dear Developers,

May I ask if we can also compute Orbital magnetization using WTools?

Thanks,

[shishirkrpandey]

It seems it automatically calculates three components of orbital magnetization at each k point in the below format, though I still do not understand how to get net magnetization from this data.

Orbital magnetization in unit of Bohr magneton \mu_B
col 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15
Sum over 1~NumOccupied bands values at NumOccupied'th band Sum below Fermi level values at Fermi level
kx (1/A) ky (1/A) kz (1/A) m_x m_y m_z m_x m_y m_z m_x m_y m_z m_x m_y m_z
-0.371890 -0.214711 0.303647 -0.1920E+01 -0.1083E+01 0.4089E+00 0.1561E-01 0.2615E-02 -0.6772E-02 -0.1896E+01 -0.1105E+01 0.4372E+00 0.0000E+00 0.0000E+00 0.0000E+00
-0.371890 -0.197534 0.297574 0.3489E+01 0.1704E+01 -0.3046E+01 0.2154E-01 0.1045E-02 0.2389E-01 0.3602E+01 0.1673E+01 -0.3037E+01 0.0000E+00 0.0000E+00 0.0000E+00
-0.371890 -0.180357 0.291501 -0.9379E+00 -0.3549E+00 -0.3104E+01 0.4841E-02 0.3219E-02 0.3778E-01 -0.8109E+00 -0.3624E+00 -0.3099E+01 0.0000E+00 0.0000E+00 0.0000E+00

I could not find any documentation on the updated website of this package.
Any help would be appreciated @yuechm @quanshengwu @pihanqi

[shahid-sattar]

@yuechm @quanshengwu @pihanqi