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Top Questions
22
votes
What are some good band-structure/DOS plotting tools/styles?
vasp
band-structure
quantum-espresso
dos
asked Aug 14, 2020 at 9:12
mattermodeling.stackexchange.com
20
votes
Hexagonal lattice volume EOS fit
density-functional-theory
software
vasp
asked May 23, 2020 at 18:39
mattermodeling.stackexchange.com
20
votes
k-points and ENCUT convergence tests before or after relaxation?
density-functional-theory
vasp
quantum-espresso
convergence-test
asked Aug 2, 2020 at 11:41
mattermodeling.stackexchange.com
13
votes
How to visualize spin density isosurfaces?
density-functional-theory
vasp
asked Mar 14, 2021 at 21:30
mattermodeling.stackexchange.com
12
votes
How to find reviewers for your paper?
publishing
asked Oct 25, 2021 at 21:05
mattermodeling.stackexchange.com
11
votes
What do we mean by spin-splitting energy?
density-of-states
transition-metals
spin
crystal-field
asked Apr 17, 2021 at 15:56
mattermodeling.stackexchange.com
11
votes
Can crystal field splitting energy or spin-splitting energy be detected in a density-of-states plot? How?
density-of-states
transition-metals
spin
crystal-field
asked Apr 17, 2021 at 21:15
mattermodeling.stackexchange.com
11
votes
How to generate KPOINTS file for HSE06 band-structure calculations?
density-functional-theory
vasp
k-points
asked Aug 12, 2020 at 8:33
mattermodeling.stackexchange.com
11
votes
Hexagonal lattice optimization
density-functional-theory
vasp
optimization
asked May 3, 2020 at 11:14
mattermodeling.stackexchange.com
11
votes
Are different eigensolvers consistent within VASP (Algo=Normal vs Fast)
density-functional-theory
vasp
magnetism
asked Jan 15, 2021 at 10:28
mattermodeling.stackexchange.com
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Top Answers
7
How to make a k-point convergence test for a bulk structure with a lower k-point in the z-direction?
mattermodeling.stackexchange.com
5
How to calculate formation energy using DFT+U?
mattermodeling.stackexchange.com
5
Which one should be investigated first? dynamic stability or magnetic stability?
mattermodeling.stackexchange.com
5
Unable to install P4Vasp
mattermodeling.stackexchange.com
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