mirror of
https://github.com/triqs/dft_tools
synced 2024-08-17 17:51:44 +02:00
.. | ||
IBZKPT | ||
LOCPROJ | ||
POSCAR | ||
readme.txt | ||
rot_dz2_dx2 | ||
test_lunio3.tar.gz |
This is an output generated by VASP for LuNiO3. The calculation is initially done for 6x6x4 k-points and then a non-self-consistent calculation for 3x3x2 is performed to generate LOCPROJ for Ni ions.