Dear All, Recently when I was trying to print the molecular orbitals of a charged system, by switching on the &FORCE_EVAL&DFT&PRINT&MO_CUBES section, I found that the orbitals were not printed properly. For instance, if I have a system with 23 electrons, 12 spin-up and 11 spin-down, the 11th orbital of the beta species would be taken as HOMO, rather than the 12th of the alpha species. And if I specify both NHOMO and NLUMO to 2, I got 7 cube files (3 alpha and 4 beta) instead of 8. When I plot the orbitals, it looks like the actual HOMO (or SOMO, i.e. the 12th alpha) is missing, and the printed "PROJECT-WFN_00012_1-1_0.cube" is actually (or should be, by comparing with projected DOS) the 13th orbital of alpha species. My question is, is this a known problem that the orbitals of the charged/odd electrons system are not correctly printed? It seems that in such case, the HOMO and LUMO are not properly assigned and therefore the "NHOMO" and "NLUMO" keys might lead to errors. Is there any way to specify number of orbitals to be printed for spin up and down species separately, for LSDA calculations? Thank you, Weiyi