[OMX] section

[OMX] section is required only if you use OpenMX (calc_code = OMX)

kppvolint [int …]Grid density per Å**(-3) of reciprocal cell in each stage
OMX_infilestrFile name of OpenMX input file.
OMX_outfilestrFile name of OpenMX output file.
ValenceElectronsstr float float [str float float …]The number of initial charges for up and down spin states.



e.g. in NaCl: ValenceElectrons = Na 4.5 4.5 Cl 3.5 3.5.