Re: [Wien] Poisson and clmsum

Dear Wien users, now I have to join this thread, because this last piece of information sounds interesting also to me. I am doing topological analyses of electron densities/Laplacians via WIEN2k and the discontinuities at the MT radii spoil basically any nabla² rho(r) map one tries to make

Re: [Wien] Poisson and clmsum

N.B., there can also be a discontinuity in the charge (small) due to the tails of the core states which can be eliminated by doing "touch .lcore". On Mon, Nov 21, 2016 at 8:36 AM, Laurence Marks wrote: > APW+lo methods have a step in the gradient of the density at the

[Wien] thin film structure

Dear wien2k users, In order to investigate the surface of compounds with zinc- blend structure, I want to construct a thin film of these compounds.I don't have any information about constructing thin films of these kinds of materials such as GaAs, InP and so on.Could you please tell me how I

Re: [Wien] Hartree-Fock and the Hubbard Model

Perhaps do a google search for correlated materials. For example, maybe the following references are of interest: https://en.wikipedia.org/wiki/Strongly_correlated_material#Electronic_structures https://arxiv.org/abs/1309.3355v1 (Section 1. LDA+U vs Hartree-Fock and Exact Exchange)

Re: [Wien] Hartree-Fock and the Hubbard Model

Thank you Pablo ! I am looking for something introductory like wikipedia. Do you have some reference "in this direction" ? All the best, Luis 2016-11-21 15:25 GMT-02:00 delamora : > Luis, look for Hubbard Model > > NaCl U2 > > Pablo >