How do I read CHGCAR format?
When I open CHGCAR file, that file format
Sys_name
length scale
lattice vector1
" 2
" 3
Coordinate_my_System
Next... some data..?
What is mean of some data?
How do i read another file format?
How do i get another file format explanation?
CHGCAR format?
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topl8921
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CHGCAR format?
Last edited by topl8921 on Wed Feb 20, 2013 1:59 pm, edited 1 time in total.
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juhL
CHGCAR format?
next line is NGXF*NGYF*NGZF (the FFT grid dimensions). Then a block follows where the charge density is written on this grid (X index runs first, then y and z). [Should be stated like this in the manual.]
Last edited by juhL on Thu Feb 21, 2013 12:29 pm, edited 1 time in total.
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maartendft
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CHGCAR format?
This has been discussed numerous times on the forum. See code that I posted earlier to read the CHGCAR:
http://cms.mpi.univie.ac.at/vasp-forum/ ... =4&t=11845
http://cms.mpi.univie.ac.at/vasp-forum/ ... =4&t=11845
Last edited by maartendft on Sat Mar 16, 2013 10:24 pm, edited 1 time in total.