You have to define two different atomic species with atomic number = 8 and different labels, and put the .psf files for both labels into your dir. It's all described in the manual. Also, I think that there was this Hfloat input example that has two different H species (if I'm not mistaken).
2008/4/23 Zhu Xi <[EMAIL PROTECTED]>: > Dear users; > How to use 2 different basis for the same element? such as use both > DZP and SZP for different O atoms in CO2. Thank you. >
