1) Name of rxsspct now has more digits for energy step
a) 99,999 seems like future proof?
b) Also removed site index which isn't used for RIXS
2) If the energy steps are close enough start with previous step's answer
a) This is instead of starting with the rhs for x
b) close enough is defined as within 3*broadening
1) Name of rxsspct now has more digits for energy step a) 99,999 seems like future proof? b) Also removed site index which isn't used for RIXS 2) If the energy steps are close enough start with previous step's answer a) This is instead of starting with the rhs for x b) close enough is defined as within 3*broadening