Searching for a shell

Archive

jekyll

Twitter Cards 2 Oct, 2021
Tweet quotes 2 Oct, 2021
Adding tags to your Jekyll site 27 Aug, 2021
Adding permalink to your Jekyll site 26 Aug, 2021
Adding emoji to your site! 25 Aug, 2021
JSmol + Jekyll = Awesome 4 Jan, 2021
Writing equations in Jekyll 4 Jul, 2019
Styles at a glance 3 Jul, 2016
Welcome to Jekyll! 19 Jun, 2016

Other

Fixing the ionic part of the polarization in VASP 28 May, 2021
Compile VASP[v6.1.2] with libxc[v4.3.4] 11 Dec, 2020
Side-quest 🐉 4 Jul, 2019

Post

Orbital decomposition of magnetic anisotropy energy using VASP 12 Jan, 2023
Spin-orbital coupling in tight binding fomalism 11 Jan, 2023
The Density Overlap Regions Indicator (DORI) with VASP 30 Nov, 2022
Non-covalent interaction visualized 28 Nov, 2022
Pseudo-atom projected bandstructure with QE 24 Nov, 2022
Simpson's integration on lograthmic radial grid 28 Oct, 2022
(De)localization index 18 Oct, 2022
Personal Vim config (update 2022) 12 Sep, 2022
Wannier Charge Center in Bloch representation 14 May, 2022
Polar metals and hybrid Wannier functions 18 Apr, 2022
The evolution of bond index 20 Mar, 2022
From Green's function to Dyson equation 4 Mar, 2022
From Greens function to DOS 3 Mar, 2022
Fourier transform Heaviside step function 2 Mar, 2022
The Sokhotski-Plemelj Formula 1 Mar, 2022
Deriving Electron Localization Function 17 Jan, 2022
Multicentered bond order index 8 Sep, 2021
Duodempotency of density matrix 7 Sep, 2021
From velocity autocorrelation function to phonon DOS 20 Aug, 2021
Green's function (part II) 16 Aug, 2021
Green's function (part I) 15 Aug, 2021
Tight-binding, two flavours🍦 8 Aug, 2021
Some thoughts on periodicity and charge understanding of the polarization Quantum 25 Dec, 2020
Calculating spin texture from DFT and Wannier Hamiltonian. 17 Jun, 2020
Is it really necessary to have a centrosymmetric structure to calculate the macroscopic polarization? 17 Jan, 2020
Using Wannier Charge center to calculate Ferroelectric polarization 25 Dec, 2019
Testing Berry phase method in VASP and QE for 2D system 5 Aug, 2019
Puzzling effects of saw-tooth electric field in DFT code 13 Jul, 2019
Calculate on-site U parameter in a self-consistent fashion 6 Jul, 2019