Some parameters of WIEN2k to monitor are:

 

:ENE total energy (Ry)
:DIS charge distance between last 2 iterations ( $\int \vert \rho_n - \rho_{n-1} \vert dr $). Good convergence criteria.
:FER Fermi energy
:FORXXX force on atom XXX in mRy/bohr (in the local (for each atom) carthesian coordinate system)
:FGLXXX force on atom XXX in mRy/bohr (in the global coordinate system of the unit cell (in the same way as the atomic positions are specified))
:DTOXXX total difference charge density for atom XXX between last 2 iterations
:CTOXXX total charge in sphere XXX (mixed after MIXER)
:NTOXXX total charge in sphere XXX (new (not mixed) from LAPW2+LCORE)
:QTLXXX partial charges in sphere XXX
:EPLXXX l-like partial charges and ``mean energies'' in lower (semicore) energy window for atom XXX. Used as energy parameters in case.in1 for next iteration
:EPHXXX l-like partial charges and ``mean energies'' in higher (valence) energy window for atom XXX. Used as energy parameters in case.in1 for next iteration
:EFGXXX Electric field gradient (EFG) $V_{zz}$ for atom XXX
:ETAXXX Asymmetry parameter of EFG for atom XXX
:RTOXXX Density for atom XXX at the nucleus (first radial mesh point)
:VZERO Gives the total, Coulomb and xc-potential at z=0 and z=0.5 (meaningfull only for slab calculations)
:POT Exchange-correlation potential used in this calculation
:LAT Lattice parameters in this calculation
:VOL Volume of the unit cell
:POSXXX Atomic positions for atom XXX (as in case.struct)
:RKM Actual matrix size and resulting RKmax
:NEC normalization check of electronic charge densities. If a significant amount of electrons is missing, one might have core states, whose charge density is not completely confined within the respective atomic sphere. In such a case the corresponding states should be treated as band states (using LOs).

For spin-polarized calculations:

 

:MMTOT Total spin magnetic moment/cell
:MMIXXX Spin magnetic moment of atom XXX. Note, that this value depends on RMT.
:CUPXXX spin-up charge (mixed) in sphere XXX
:CDNXXX spin-dn charge (mixed) in sphere XXX
:NUPXXX spin-up charge (new, from lapw2+lcore) in sphere XXX
:NDNXXX spin-dn charge (new, from lapw2+lcore) in sphere XXX
:ORBXXX Orbital magnetic moment of atom XXX (needs SO calculations and LAPWDM).
:HFFXXX Hyperfine field of atom XXX (in kGauss).
 

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