Huanjing Gong

HF energy soared for new SIAB basis set when SCF

12

### Describe the bug For bulk NaCl and C, it was found that severe distortion of Hartree-Fock bandstructure due to unreasonable increase of energy while SCF. Here, system NaCl was...

elpa issue?

10

### Describe the bug I wonder what is wrong in the error reporting. I have tried to use various version ABACUS, but all showed this error. When I moved to...