Xinyuan Liang
Results
2
issues of
Xinyuan Liang
### Describe the bug When I tried to run SCF in a system consisting of only one C atom with PBE0, I found that I could not get convergent results....
EXX
### Describe the bug When running ABACUS with dft_functional as HSE and symmetry as 1 (default setting), the SCF procedure seems very strange. The "EDIFF/eV (outer loop)" are always e+5,...
EXX and lr-TDDFT
Questions