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Sep 19, 2023 · I've been reading a number of papers that reference the INCAR tag ISPIND but there is no page for it on the VASP wiki. What does. ISPIND = 2. do that. ISPIN ...
Jul 2, 2024 · For a spin-polarized calculation (ISPIN=2), MAGMOM is a list of NIONS positive or negative values that specify the magnitude and relative orientation of the ...
Jun 12, 2024 · In VASP, the spin degrees of freedom can be treated either within a so-called spin-polarized calculation (ISPIN=2) or a noncollinear calculation (LNONCOLLINEAR= ...
VASP Preparation — PyProcar 6.2.1 documentation - GitHub Pages
romerogroup.github.io › dftprep › vasp
Aug 11, 2023 · This guide is here to help you prepare VASP Calculations to be used with pyprocar. ... Colinear-Spin To perform spin colinear calculations set ISPIN = 2 in the ...
Jan 22, 2024 · I have been trying to do Piezoelectric and Elastic calculations for my system in VASP, and i ended up with this error. ... ISPIN = 2 MAGMOM = 8*5 8*5 24*5 #------ ...
Dec 6, 2023 · This option will convert the cell you entered into a cell that has the symmetry needed for vasp to work properly. The atom positions are altered correspondingly ...
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Dec 8, 2023 · One strategy I found quite helpful when testing out different moment directions systematically, was to first do a spin-unpolarized calculation ISPIN = 1, and ...
Jun 10, 2024 · pymatgen.io.vasp package . This package implements modules for input and output to and from VASP. It imports the key classes form both vasp_input and ...
Sep 25, 2023 · I want to create spin calculation for zigzag graphene nanoribbon system by using VASP. I used ISPIN=2 and MAGMOM tags in VASP to do this. But, I don't know ...
Mar 10, 2024 · I've been working on SCF calculations using VASP, and I've noticed that even with the following INCAR settings, I'm not seeing eigenvalues close to 1 or 0 ...