Recent content by sidiq

Hi everyone! I run the software ABINIT. It allows one to model solids as a plane-wave pseudopotential. Since it is based on first principles DFT, we are able to obtain the energies over many k-points. This would give us a band structure. Besides this, the calculation would print out a...

Thank you for the reply DrDu. It was really insightful for me.

Hello All! I was wondering if anyone can tell me if or if not the wavefunctions used to construct the electron density in density functional theory contains hybridizied orbitals. I have been working with a planewave pseudopotential code and in the input file of a pseudopotential, say...