fvmunoz

A quick solution is to run a few seconds of any calculation with the direct lattice KPOINTS. Then look for the cartesian k-points near the beginning of the OUTCAR file...

Dear HZ, I don't see any difference, just a typo psi -> phi Best Francisco On Wed, Mar 30, 2022, 5:59 AM hongyi-zhao ***@***.***> wrote: > I noticed the following...

Dear Gargee, Could you give more details of what and how you got this. Without more information it looks that you are using the Fermi from the bands calculations. You...

Dear Gargee, it is not a problem or issue. The right Fermi energy comes from a regular mesh-grid (such as the one from the self consistent calculation), you need to...

Please attach an screenshot of the error message and the commands you typed before the error Best On Thu, Dec 29, 2022, 1:42 AM kcbhamu ***@***.***> wrote: > I have...

Hi, could you increase the `markersize`, to ~10? Best, Francisco On Mon, Dec 5, 2022 at 11:09 AM Moon121212 ***@***.***> wrote: > I have problem when I submit the script...

add the next text to your bandsplot(...) line markersize=10 if that fails you can try with: size=10 On Mon, Dec 5, 2022 at 11:27 AM Moon121212 ***@***.***> wrote: > @fvmunoz...

Hi Subeen, Pyprocar closes the surface when it is outside the first BZ; that is correct. It is like in graphene; you can have 2 Dirac cones, one at K...

Dear BianTieyuan, I fail to see any discrepancy. There are more or less arrows being plotted, but the physics is the same in all the panels. The kpoints grid almost...