Hello everyone !
Can anyone tell me If I want to mention atom names before number of atoms in POSCAR file and after lattice vectors line , Can I mention in POSCAR file like this ?
1x4x2_1_1_1
1.00000000000000
11.8400000000000000 0.0000000000000000 0.0000000000000000
0.0000000000000000 14.6000000000000000 0.0000000000000000
0.0000000000000000 0.0000000000000000 13.5600000000000000
Fe Pt S
64 64 64
cart
VASP_POSCAR_File
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Re: VASP_POSCAR_File
There are two valid formats of the POSCAR file.
The older format has no line with atom names before the line with number of atoms.
The newer format has the line with atom names.
The older format has no line with atom names before the line with number of atoms.
The newer format has the line with atom names.