How to define S in ICONST
Posted: Tue Oct 18, 2022 5:59 am
Dear all,
I have a question about 4.) in the VASP wiki below.
wiki/index.php/ICONST
I don't understand why a2:a3=1.5:2 is defined by "S 0 0 0 0.0 3.0 -2.0 0".
I thought it would be "S 0 0 0 0.0 4.0 -3.0 0" or "S 0 0 0 0.0 2.0 -1.5 0".
Could you please teach me how to set "flag = S" in ICONST?
Kai
I have a question about 4.) in the VASP wiki below.
wiki/index.php/ICONST
I don't understand why a2:a3=1.5:2 is defined by "S 0 0 0 0.0 3.0 -2.0 0".
I thought it would be "S 0 0 0 0.0 4.0 -3.0 0" or "S 0 0 0 0.0 2.0 -1.5 0".
Could you please teach me how to set "flag = S" in ICONST?
Kai