Hi, I'm trying to obtain MO from many calculations.So, MO is generated by molden_write setting but there only has 12 decimal places.Is there any way to increase the printing decimal places more than 12?
Thank you for the help.
12 is already more than is physically significant, I should think. To really get more, you'd have to edit this and/or this and recompile and rerun.
Edit: As @dgasmith kindly points out, it's here that the orbitals are actually written.
Thank you very much!