VASP_POSCAR_File
Posted: Sun Jul 10, 2016 4:15 am
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
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