Zhufeng Hou

1. the Born effective charge extracted by polaron_main is saved into a file named 'born.txt'. see line 800 of polaron_main: np.savetxt('born.txt', prim.symmetrize_born(borns).reshape((-1,3)) csld_main will read a file named 'born_charge.txt' 2....

polaron_main seems to extract only the "MACROSCOPIC STATIC DIELECTRIC TENSOR IONIC CONTRIBUTION", instead of the "MACROSCOPIC STATIC DIELECTRIC TENSOR (including local field effects in DFT)". This is different from the...

Features Reqeust: Fermi surface nesting function and bare static electron susceptibility

1

The Fermi surface nesting function $`\xi_\mathbf{q}`$ is defined as: ```math \xi_\mathbf{q} =\frac{1}{N}\sum_{\mathbf{k}, i, j}\delta(\epsilon_{\mathbf{k},i}-\epsilon_\mathrm{F})\delta(\epsilon_{\mathbf{k}+\mathbf{q},j}-\epsilon_\mathrm{F}) ``` where $`\epsilon_{\mathbf{k},I}`$ is the Kohn-Sham eigenvalue and $`i`$, $`j`$ are the indices of energy bands,...