Chi Kou's user avatar
Chi Kou's user avatar
Chi Kou's user avatar
Chi Kou
  • Member for 2 years, 6 months
  • Last seen more than a month ago
  • Algeria
21 votes
2 answers
4k views

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

19 votes
3 answers
386 views

Hexagonal lattice volume EOS fit

18 votes
3 answers
2k views

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

13 votes
1 answer
1k views

How to visualize spin density isosurfaces?

12 votes
1 answer
112 views

How to find reviewers for your paper?

11 votes
2 answers
300 views

What do we mean by spin-splitting energy?

11 votes
1 answer
89 views

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

11 votes
3 answers
1k views

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

11 votes
1 answer
141 views

Hexagonal lattice optimization

11 votes
1 answer
426 views

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

11 votes
2 answers
813 views

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

10 votes
1 answer
368 views

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

10 votes
1 answer
169 views

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

10 votes
1 answer
480 views

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

10 votes
1 answer
230 views

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

10 votes
2 answers
3k views

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

10 votes
3 answers
856 views

How can I learn LaTeX?

9 votes
2 answers
74 views

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

9 votes
1 answer
140 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
116 views

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

9 votes
1 answer
346 views

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

9 votes
1 answer
255 views

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

9 votes
1 answer
342 views

How to perform HSEsol in VASP calculations?

9 votes
2 answers
882 views

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

9 votes
1 answer
617 views

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

8 votes
1 answer
420 views

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

8 votes
1 answer
150 views

How to study a new material without any experimental data about it?

8 votes
1 answer
87 views

How to solve this Bandup software problem?

8 votes
1 answer
105 views

What is the meaning of element-rich environment in calculating formation energy?

8 votes
2 answers
381 views

What is the maximum allowed doping concentration?