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Matter Modeling

Famous Question

 Famous Question
Question with 10,000 views. This badge can be awarded multiple times.
Awarded 13 times.
What is band inversion and how to recognize it in band structure?
Awarded Apr 20 at 17:12
How should one choose the time step in a molecular dynamics integration?
Awarded Mar 11 at 13:13
How to know optimal K-points grid values for good DFT calculation?
Awarded Nov 3, 2024 at 15:41
What are the types of charge analysis?
Awarded Jul 28, 2024 at 13:16
What is nscf calculation in Quantum ESPRESSO?
Awarded Jun 18, 2024 at 12:17
What is a good replacement for Gaussian?
Awarded May 16, 2024 at 23:56
What is the difference between DOS and PDOS?
Awarded May 6, 2024 at 8:17
Since MKL is not optimized for AMD hardware, should I use a math library specific to AMD, or would an open-source one be just as good?
Awarded Nov 27, 2023 at 12:42
Calculating HSE06 band structures on Quantum ESPRESSO
Awarded Nov 20, 2023 at 4:16
How to write my own density functional theory (DFT) code in Python?
Awarded Nov 14, 2023 at 16:06
What are the freely available crystal-structure visualization softwares?
Awarded Nov 2, 2023 at 17:18
Is it better for me to study chemistry or physics?
Awarded May 27, 2022 at 2:35
Did the 2019 discovery of O(N log(N)) multiplication have a practical outcome?
Awarded Feb 6, 2022 at 2:12