I have a question about DOSCAR file
Posted: Thu Jul 29, 2010 2:32 am
I run the VASP using lorbit 11 options
there are 37 columns in DOSCAR file
energy/ S total, Sx, Sy, Sz/ Py total , Py(x), Py(y), Py(z)/(4)/(4)/(4).....
or
energy/s/Py/Pz/Px/dxy/dyz/dZ2/dxz/dx2-y2/(last 27 is sbout x,y,z componet)
which one is right arrangement in DOSCAR file?
thank you
there are 37 columns in DOSCAR file
energy/ S total, Sx, Sy, Sz/ Py total , Py(x), Py(y), Py(z)/(4)/(4)/(4).....
or
energy/s/Py/Pz/Px/dxy/dyz/dZ2/dxz/dx2-y2/(last 27 is sbout x,y,z componet)
which one is right arrangement in DOSCAR file?
thank you