Hi Meeri, I have started the Li example. It should include Li atom, Li2 diatomic molecule, Li 1D-wire, Li 2D-plane, Li 3D-crystal. Please finish this example by adding the Li 3D-crystal example. Please do now shift the energy by the Fermi energy. Instead plot the Fermi energy as a vertical line on all plots. Adjust the parameters so that they can run on 1 CPU in less than 5 minutes. And add the "best-quality" DOS, with high number of k-point, for each example. Thanks!
Hi Meeri, I have started the Li example. It should include Li atom, Li2 diatomic molecule, Li 1D-wire, Li 2D-plane, Li 3D-crystal. Please finish this example by adding the Li 3D-crystal example. Please do now shift the energy by the Fermi energy. Instead plot the Fermi energy as a vertical line on all plots. Adjust the parameters so that they can run on 1 CPU in less than 5 minutes. And add the "best-quality" DOS, with high number of k-point, for each example. Thanks!