Hi,
I am using openbabel to convert cif format to POSCAR file. After installing
open babel and applying the code obabel input -O output, I have got POSCAR
in cartesian coordinate. Can I get POSCAR in fractional coordinate using
open babel (direct)?
More importantly, the POSCAR file has some extra line between lattice
vectors and cartesian coordinates.
Universal factor
Lattice vectors
Mn Br Mn O N O N C O C O C H C H C N C H
C H N C H C H C H C H C H C H C H C H
C H C H C H C H C H C H C H O C H
2 1 1 1 2 3 2 1 1 1 1 4 1 3 1 1 1 3 1
3 1 1 2 3 1 1 2 1 1 1 1 3 2 1 2 3 2 1
1 1 1 2 2 3 1 1 1 3 1 3 1 1 3 3 2
Cartesian
coordinates
I appreciate if you let me know how to change those lines which are
related to the order of atoms in POSCAR.
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