[DFTB-Plus-User] basis in waveplot

[Vladimir Yushkevich]

Hi all,

I would like to visualize total charge density at Al surface. My problem is
that there is no file containing the appropriate wave
function coefficient definitions for Al atom. Can you provide more
information about derivation cutoff for the wave function, exponents and
coefficients?

Best regards, Vladimir Yushkevich
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.dftb-plus.info/pipermail/dftb-plus-user/attachments/20101005/bb15575d/attachment.htm