My Community

Dear all,

According to VASP manual, CHGCAR is written by
WRITE(IU,FORM) (((C(NX,NY,NZ),NX=1,NGXC),NY=1,NGYZ),NZ=1,NGZC)
But from this I can not understand the structure of CHGCAR with 5 column.

Anybody can explain to me the stucture of CHGCAR
Thank very much!

The data can be written with a formatted statement such as:

WRITE(IU,'(5E18.11)') (((C(NX,NY,NZ), &
& NX=1,NGXC),NY=1,NGYC),NZ=1,NGZC)

The 5 columns have no significance except that the resulting
lines are of a reasonable length.

May I know the format of CHGCAR in a spin polarized calculation?

Is it that (spin-up)+(spin-down), (spin-up)-(spin-down) the most immediate factor, and then NGX, NGY, NGZ as the non-spin polarized CHGCAR?

I need to confirm this before I seperate total charge density and spin charge density.

Thank you!