ISPIN=2 #spin polarized calculation (2-yes 1-no). NUPDOWN=0 #fix spin moment to specified value. # 0: S=0, 2S+1 = 1, SINGLET.
# 1: S=1/2, 2S+1 .... ISPIN = 2: use spinden.x < CHGCAR or spinden.x < PARCHG.xxx. Important note ... Look at occupation in OUTCAR to identify the band number.
For ISPIN=2, one needs .... ISPIN controls the Spin-polarized and Spin-Unpolarized calculation in VASP code. But, for calculations (molecular), how to do a fixed .... I am experiencing challenges culturing Human Umbilical Vein Endothelial Cells (HUVEC) and seeking advice for optimization.
Observations: Slow growth rate: My .... VASP will automatically increase this value accordingly regardless your NBANDS is fixed. ISMEAR = -2.
ISPIN = 2. # 1020 1021 1022 1023 just a ....
