[CPMD-list] "True" Eigenvalues

[Salomon Billeter]

Dear Walter,

you might also want to have a look at
http://cpmd.org/mailman/htdig/cpmd-list/2004-November/003808.html, which
gives you the according terms in the CPMD source code. D. Marx and J.
Hutter, "Ab-initio Molecular Dynamics: Theory and Implementation", Modern
Methods and Algorithms in Quantum Chemistry, Forschungzentrum Juelich, NIC
Series, vol. 1, (2000), contains also a good review about solving Poisson's
equation in reciprocal space with Gaussian core charges.

Best regards,
Salomon