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https://github.com/triqs/dft_tools
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![]() * moved the plovasp C++ code to c++/triqs_dft_tools/converters/vasp * added global header triqs_dft_tools/triqs_dft_tools.hpp * python dir based on single cmakelist file * registered C++ tests for plovasp * corrected imports for py3 tests for plovasp * corrected block order in sigma_from_file and srvo3_Gloc * exchanged ref files for sigma_from_file, srvo3_Gloc, SrVO3.ref.h5 * moved vasp converter bash scripts from dir shells to bin dir |
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.. | ||
DOSCAR | ||
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.