Matter Modeling
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M06-2x
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All Questions Answers
Score Newest
question
10
Free and optimized code for Hartree-Fock calculation in solids
Apr 10
answer
8
Why is chemical bond dissociation difficult to simulate?
Jul 25
answer
8
Which strategy of improving the DFT band gap is the most effective?
Aug 4
answer
6
Calculate the energy of a single electron in an atom
Jun 28
answer
5
Frozen core Stability Calculations in G09?
Jun 30
answer
5
What programming language do matter modelers generally use?
Jun 18
answer
4
What are some pros/cons of Quantum ESPRESSO and FLEUR?
Jun 17
answer
4
Which lattice parameter should be used, the one obtained by vc-relax or the optimized value acquired through the Birch-Murnaghen equation?
Jul 25
answer
3
Theoretical Capacity of g-C3N4?
Jun 23
answer
3
Is the pseudopotential designed for GGA also suited for meta-GGA?
May 4

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