User B. Peng - Physics Stack Exchange

B. Peng

Member for 2 years, 9 months
Last seen more than 1 year ago

tcm.phy.cam.ac.uk/profiles/…
Cambridge, 剑桥英国

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Feb 13, 2021

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15

Which codes can perform density functional perturbation theory (DFPT) calculations for a van der Waals (vdW) material?

11

Methods to determine the vacuum level in 2D compounds in the presence of dipoles

7

How to make a good HSE06 bandstructure for TMDC monolayer material (e.g.: WS2) in terms of VASP calculation INPUTS?

6

Calculation of linear coefficient of thermal expansion using VASP-Phonopy for Hexagonal material

5

BSE and IQP oscillator strength from VASP