jiyuyang

Can ABACUS support ELF output?

3

### Background Electron localization functions (ELF) can be understood as a measure of the effect of the Pauli repulsion and used to do chemical bond analysis. ELF has values between...

RT-TDDFT restart error

6

### Describe the bug When running RT-TDDFT with `md_restart 1` and `init_wfc file` for restarting a job, a warning is reported  However, there are wfc files with different names...

SOC "Caught signal 11 (Segmentation fault: address not mapped to object at address 0x10)" error

1

### Describe the bug When running ABACUS v3.6.2 with `lspinorb=1`, `Caught signal 11 (Segmentation fault: address not mapped to object at address 0x10)` is reported. More detail error information, please...

RT-TDDFT abnormally interrupted

6

### Describe the bug I use the same input file to run the RT-TDDFT twice, the program is abnormally interrupted at different MD steps, I suspect it may be due...