I have a question about DOSCAR file
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I have a question about DOSCAR file
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
Last edited by sonandok on Thu Jul 29, 2010 2:32 am, edited 1 time in total.
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- Global Moderator
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Re: I have a question about DOSCAR file
Hi,
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