Matter Modeling
CW Tan's user avatar
CW Tan's user avatar
CW Tan's user avatar
CW Tan
  • Member for 1 year, 1 month
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Researcher at the Singapore University of Technology and Design (SUTD) studying 2D materials for nanoelectronics applications.

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All Questions Answers
Score Newest
answer
9
Should one perform geometry optimisation before calculating electronic/phonon band structures via DFT?
Nov 4, 2022
question
6
Standard Practice for Relaxation, Band Structure and Density of States Calculations wrt smearing method
Oct 24, 2022
question
6
DFT Treatment of Unbalanced Charges in Solids
Jan 3
question
6
Do I have to use the same functional for dielectric function calculations, as the one used for relaxing the structure?
Jan 16
answer
6
VASPKIT and SeeK-path recommend different paths. Which one to choose?
Apr 30
answer
5
How can visualize a rectangular super cell of Graphene by VESTA
Jun 5
answer
5
What files are important while taking backup of a VASP calculation?
Jun 14
question
5
Benchmarking DFT vs Experimental Gaps - Confusion over Fundamental and Optical Gaps
Jul 21
answer
4
Writing POSCAR for monolayer and mulitiple layers for 2D materials
Oct 24, 2022
answer
4
Band Structure Calculation with HSE06 Hybrid Functional in VASP
Oct 31, 2022

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