Oct 20, 2023 · ISYM determines the way VASP treats symmetry. ISYM=1 | 2 | 3, switches on the use of symmetry. For ISYM=-1 | 0, the use of symmetry is switched off.

Nov 30, 2023 · Additionally, the ISYM tag determines the symmetry operations applied to quantities such as the electronic charge density, Kohn-Sham orbitals, etc, during the ...

Dec 19, 2023 · ISPIN = 2 ISYM = -1 LSORBIT = .TRUE. LNONCOLLINEAR = .TRUE. ICHARG = 2 ... Running VASP. The vasp_ncl binary must be used, not the vasp_std one. Expect ...

May 6, 2024 · I'm encountering convergence issues in my VASP relaxation calculations, specifically related to the message 'BRIONS problems: POTIM should be increased.'

Jun 11, 2024 · Is it compulsory to invoke ISYM tag for doing phonon calculations in VASP? When I included ISYM=0 (idea obtained from the tutorials), it started calculating ...

Jan 13, 2024 · While performing DFT+U+SOC calculation in VASP for the material Mn3Sb my calculation is not at all converging. Here I am attaching the necessary input files ...

Aug 8, 2024 · Is it compulsory to invoke ISYM tag for doing phonon calculations in VASP? When I included ISYM=0 (idea obtained from the tutorials), it started calculating ...

Oct 12, 2023 · I'm reaching out to seek insights and feedback on the correctness of my procedure, settings, and the results I obtained (VASP version 5.4.4). Steps I ...

Sep 16, 2024 · !ISYM = 0 ! 0 for no symmetry. LREAL = Auto ! determines whether the projection operators are evaluated in real-space or in reciprocal space (Default LREAL ...

Jun 3, 2024 · The input WAVECAR file for the COHP calculations is obtained in VASP without symmetrization of the charge density (ISYM flag is set to -1) and a k-point grid of ...