Vahid999

The LDA (Perdew-Wang) PSP for copper called cu-sp-high.in shows large deviation in log derivatives for d- and f-states. I guess the f-state is less serious but is there a reason...

Apparent inconsistency between TRIQS/solid_dmft and Amulet

7

Bulk Ca2N has been studied with DMFT using the Amulet code as reported in J. Phys. Chem. C 2021, 125, 15724. According to their Fig.4 , at \Gamma, DMFT is...

ModuleNotFoundError: No module named 'ase'

3

Following the instructions on solid_dmft/doc/tutorials/correlated_bandstructure /plot_correlated_bands.ipynb for SVO, I prepared the following script to extract the Im(Sigma) versus energy from the .h5 file: `# Import the modules: from IPython.display import...