Since SIESTA doesn't work with Gaussian bases, you can't do that. The basis orbitals automatically generated by SIESTA are atomic, Slater-like, but with a finite support. In principle, you can input any desired Gaussian function (on a finite support) as a radial table using block PAO.UserBasis, but I can't see a single reason for that (and quite a few reasons to NOT do it).
2007/2/2, Oleksandr Loboda <[EMAIL PROTECTED]>:
Dear siesta users I want to know if it is possible to use in siesta real "user defined basis set". I mean how to add in basis set user defined orbital exponent for let's say diffuse functions? Thank you Oleksandr
