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

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

11 votes
2 answers
6k views

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

22 votes
3 answers
5k views

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

13 votes
1 answer
3k views

How to visualize spin density isosurfaces?

9 votes
2 answers
3k views

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

11 votes
3 answers
2k views

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

7 votes
2 answers
2k views

How to perform band-structure unfolding in VASP?

7 votes
1 answer
2k views

How to set NCORE, KPAR and NBANDS to speed up calculations on VASP?

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?

11 votes
2 answers
2k views

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

7 votes
3 answers
1k views

How to determine the value of the difference (U-J) in "Dudarev's approach" for GGA+U calculation using the VASP?

6 votes
1 answer
1k views

How to calculate the magnetic anisotropy energy using the VASP code?

10 votes
2 answers
1k views

How to choose a proper rotation matrix and apply it to rotate unit cell about Cartesian axis

10 votes
1 answer
1k views

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

9 votes
1 answer
1k views

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

6 votes
1 answer
1k views

How to perform carrier-doping in VASP

7 votes
1 answer
1k views

How to create a POSCAR for hexagonal structure for VASP calculations?

7 votes
1 answer
1k views

How to solve this Phonopy-related problem?

10 votes
1 answer
1k views

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

7 votes
1 answer
1k views

How accurate is ALGO= All in VASP?

4 votes
1 answer
978 views

How to interpret spin density isosurface figures?

10 votes
3 answers
880 views

How can I learn LaTeX?

11 votes
1 answer
863 views

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

10 votes
1 answer
678 views

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

6 votes
1 answer
671 views

What is the meaning of EATOM tag in the POTCAR files of VASP?

8 votes
1 answer
650 views

If Gaussian and Tetrahedron smearing method lead to different Fermi energies, which one is the correct?

10 votes
1 answer
620 views

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

7 votes
1 answer
599 views

Which IBRION tag should be used for finite displacement method in calculating Phonons spectrum?

3 votes
1 answer
595 views

How to start with the elastic properties of 2D materials using the VASP code?

6 votes
1 answer
568 views

How to make this DOS plot more smooth and add more points around Fermi level?