| Topic | Useful tags/sections | | :--- | :--- | | | ISMEAR table: -5 (tetrahedra), 0 (Gaussian), 1 (Methfessel-Paxton), -1 (Fermi) | | PAW pseudopotentials | POTCAR file section, VRHFIN check | | Spin-orbit coupling | LSORBIT = .TRUE. , SAXIS , GGA_COMPAT | | NMR and hyperfine | LHYPERFINE , WRT_NMR | | Constraints during relaxation | CONSTRAINTS file, ISIF settings |
There are many unofficial guides, tutorials, and YouTube videos about VASP, but none replace the official documentation. Here is why: vasp manual pdf
Even with the manual, users make mistakes. Here are three classic examples: | Topic | Useful tags/sections | | :---