Skip to main content
Matter Modeling

Cleanup

 Cleanup
First rollback.
Awarded 15 times.
How to choose k grid using pymatgen for VASP? [duplicate]
Awarded Mar 20 at 21:36
How do you calculate a full quartic force field for anharmonic frequencies?
Awarded Nov 24, 2023 at 2:52
Are these simulator, visualizer, or force field? [closed]
Awarded Oct 6, 2023 at 9:02
How to build the [111] slab model of NiSe2 with different terminations with ASE tool?
Awarded Mar 12, 2023 at 0:21
Is there a way to obtain solution-phase dielectric constants?
Awarded Jan 21, 2022 at 5:33
Need INCAR equivalent Quantum Espresso input file
Awarded Dec 6, 2021 at 13:10
Proposing a 2D quasicrystal; what are the necessary and sufficient conditions? (If it looks like a duck and quacks like a duck, or...?)
Awarded Nov 1, 2021 at 3:49
(post deleted or otherwise unavailable)
Awarded Mar 24, 2021 at 23:06
Are there examples of ab initio predictions on small molecules without the "major approximations"?
Awarded Dec 8, 2020 at 10:28
Standard values for level of convergence
Awarded Jul 24, 2020 at 14:43
How ductile is C60? [closed]
Awarded Jul 6, 2020 at 19:16
Types of Discrete molecular models
Awarded Jun 29, 2020 at 19:18
Mathematical expression of SCAN (Strongly Constrained and Appropriately Normed) constraints in DFT
Awarded Jun 18, 2020 at 16:35
How are quantum computers being used in drug design? [closed]
Awarded May 7, 2020 at 3:05
Is there any DFT code or software that has the option to use this exact exchange-correlation energy functional?
Awarded May 5, 2020 at 22:27