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Matter Modeling
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Laura's user avatar
Laura's user avatar
Laura
  • Member for 2 years, 8 months
  • Last seen more than a month ago
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question
6
Transport calculations using Transiesta
Nov 23, 2022
question
5
Empty orbitals in Transiesta
Nov 25, 2022
question
5
I/V curve on Transiesta paper
Apr 19, 2023
question
5
Post-processing in TBTrans
Apr 21, 2023
question
5
Convergence problem in geometry optimization in Gaussian16
Jul 6, 2023
question
5
S1-T1 energy difference in Gaussian
Dec 8, 2023
question
5
Calculation of S1 energy in Gaussian
Feb 23
question
5
Methologies to calculate excited states in Gaussian
Dec 12, 2023
answer
5
Optimzation for Large supercell
Jan 31, 2023
answer
5
What's the meaning of k-points with weight zero?
Mar 22, 2023