Lsorbit vasp example
23 Sep 2024 —

Mn3Sn vector spin example, using VASP and c2x🏥👏👏. 🍰🌈.🍬.🚟🧐🧐. ISPIN = 2 ISYM = -1 LSORBIT = 🧁.TRUE📏.

LNONCOLLINEAR = 🗾🥝.TRUE🚓. ICHARG = 2 NBANDS = 68 MAGMOM = 0 0 0 \ 0 0 0 .🏫.📲🦛. .

.🌐.💝. LSORBIT = T NELMIN = 7 ISMEAR = 0 SIGMA = 0.10000000 LORBIT = 11 KPOINT_BSE = -1 0 0 0 GGA = PS ) ) dim_info = Data( kpoints = (NKPTS,3) 🏫🐒🐒.🌐.🚨🥧🥧.. Spin-orbit coupling (SOC) in a freestanding Fe monolayer. This example is carried out in total analogy to Spin-orbit coupling in a Ni monolayer♏️♏️.🌅.

Next, the spin-orbit coupling (LSORBIT = 🏜.True🐇. using the vasp_ncl 🐥.📟🏓..

Category: Examples🙆🏈. This page was last edited on 11 April 2023 🍆..🏝🕞.🏎🤣. LSORBIT = 🛹.TRUE😤😤. switches on spin-orbit coupling and automatically ❗️.🌱.🥁.

Another example is the calculation of adsorption energies of molecules on .😁.🗝👐.💴😟.