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Matter Modeling
Y. Zhai's user avatar
Y. Zhai's user avatar
Y. Zhai's user avatar
Y. Zhai
  • Member for 4 years, 4 months
  • Last seen more than 1 year ago
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Top posts
question
17
How can I visualize the trajectory of a VASP simulation?
Oct 23, 2020
answer
16
Is there a free package with robust CASSCF functionality?
May 7, 2020
answer
13
Are dispersion correction methods for DFT (such as D3) useful for geometry optimization?
May 7, 2021
question
10
How can I simulate the work function given by Ultraviolet Photoelectron Spectrum (UPS)?
Nov 12, 2020
answer
9
Alternatives to VEDA 4 vibrational energy distribution analysis software?
Jul 11, 2020
answer
8
What is the procedure for constructing an ab initio potential energy surface for CH3Cl + Ar?
Dec 25, 2020
answer
7
Transformation between two different sets of molecular vibrational normal coordinate systems
Jul 1, 2021
answer
6
Morse potential for phonons in solids instead of the harmonic potential approximation?
Sep 4, 2020
answer
5
Finding normal mode vectors vs. vibrational frequencies?
Aug 2, 2022
answer
5
Can I use two different codes?
Sep 4, 2020
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15
What is the difference between asking a question using 是不是 and 吗?
6
What's the difference between 主任 and 主管?
6
Creating fillable PDFs