mirror of
https://github.com/triqs/dft_tools
synced 2024-08-17 17:51:44 +02:00
![Alexander Hampel](/assets/img/avatar_default.png)
* 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
6 lines
207 B
Plaintext
6 lines
207 B
Plaintext
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.
|