3
0
mirror of https://github.com/triqs/dft_tools synced 2024-10-31 19:23:45 +01:00
dft_tools/doc/tutorials/nio_csc_vasp/POSCAR
2023-06-19 17:30:02 -04:00

11 lines
299 B
Plaintext

NiO
4.17 #taken from 9x9x9 with sigma=0.2 ismear=2
+0.0000000000 +0.5000000000 +0.5000000000
+0.5000000000 +0.0000000000 +0.5000000000
+0.5000000000 +0.5000000000 +0.0000000000
Ni O
1 1
Direct
+0.0000000000 +0.0000000000 +0.0000000000
+0.5000000000 +0.5000000000 +0.5000000000