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Chi Kou's user avatar
Chi Kou's user avatar
Chi Kou
  • Member for 4 years
  • Last seen more than a month ago
  • Algeria
26 votes
2 answers
8k views

What are some good band-structure/DOS plotting tools/styles?

22 votes
3 answers
4k views

k-points and ENCUT convergence tests before or after relaxation?

20 votes
3 answers
532 views

Hexagonal lattice volume EOS fit

13 votes
1 answer
3k views

How to visualize spin density isosurfaces?

12 votes
1 answer
250 views

Hexagonal lattice optimization

12 votes
1 answer
124 views

How to find reviewers for your paper?

11 votes
2 answers
6k views

Which image format is best to use in a scientific paper?

11 votes
3 answers
2k views

How to generate KPOINTS file for HSE06 band-structure calculations?

11 votes
1 answer
816 views

Are different eigensolvers consistent within VASP (Algo=Normal vs Fast)

11 votes
2 answers
1k views

How to create a KPOINTS file (k-path) for 4x4x1 supercell bandstructure calculation?

11 votes
2 answers
432 views

What do we mean by spin-splitting energy?

11 votes
1 answer
123 views

Can crystal field splitting energy or spin-splitting energy be detected in a density-of-states plot? How?

10 votes
1 answer
226 views

What resources are available to learn how to do something in VASP?

10 votes
1 answer
539 views

What is the source of error in this mBJ-LDA calculation?

10 votes
1 answer
1k views

In VASP, which option is better for monolayer relaxation: ISIF=3 or ISIF=4?

10 votes
1 answer
1k views

How to calculate the formation energy of a monolayer using VASP?

10 votes
1 answer
600 views

How to remove the fake k-points from vasprun.xml file in the calculation of HSE06 band structure?

10 votes
2 answers
2k views

How to make a good HSE06 bandstructure for TMDC monolayer material (e.g.: WS2) in terms of VASP calculation INPUTS?

10 votes
3 answers
878 views

How can I learn LaTeX?

10 votes
1 answer
622 views

What is the difference between a half metal (HM) and a spin gapless semiconductor (SGS)?

10 votes
1 answer
244 views

How to improve a phonon spectrum calculation for a monolayer material?

9 votes
2 answers
100 views

Can these Band-gap specifications be attributed to a Half-Semiconductor material?

9 votes
1 answer
250 views

In which conditions can the self-consistent Hubbard U value calculated using Quantum Espresso be used for other VASP calculations?

9 votes
1 answer
1k views

How to extract lattice constants a and c from relaxed hexagonal structure using VASP?

9 votes
1 answer
451 views

Does the DOS plotted by p4vasp already have Fermi energy subtracted?

9 votes
1 answer
528 views

How to perform HSEsol in VASP calculations?

9 votes
2 answers
2k views

How to use gnuplot to draw Bandstructure and DOS from VASP outputs?

8 votes
1 answer
402 views

When import volumetric data (spin density of CHGCAR) to VESTA which option should we pick here?

8 votes
1 answer
166 views

How to calculate E_TM in the formation energy formulas?

8 votes
2 answers
498 views

What is the maximum allowed doping concentration?