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Top Questions
16
votes
How can I visualize the trajectory of a VASP simulation?
vasp
one-topic-per-answer
visualization-software
asked Oct 23, 2020 at 8:50
mattermodeling.stackexchange.com
10
votes
How can I simulate the work function given by Ultraviolet Photoelectron Spectrum (UPS)?
electronic-structure
spectroscopy
fermi-energy
asked Nov 12, 2020 at 15:33
mattermodeling.stackexchange.com
Top Answers
16
Is there a free package with robust CASSCF functionality?
mattermodeling.stackexchange.com
15
What is the difference between asking a question using 是不是 and 吗?
chinese.stackexchange.com
13
Are dispersion correction methods for DFT (such as D3) useful for geometry optimization?
mattermodeling.stackexchange.com
8
Alternatives to VEDA 4 vibrational energy distribution analysis software?
mattermodeling.stackexchange.com
8
What is the procedure for constructing an ab initio potential energy surface for CH3Cl + Ar?
mattermodeling.stackexchange.com
7
Transformation between two different sets of molecular vibrational normal coordinate systems
mattermodeling.stackexchange.com
6
Creating fillable PDFs
tex.stackexchange.com
6
Morse potential for phonons in solids instead of the harmonic potential approximation?
mattermodeling.stackexchange.com
5
What's the difference between 主任 and 主管?
chinese.stackexchange.com
5
Can I use two different codes?
mattermodeling.stackexchange.com
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