HTZhao

### Linked Issue Partially Fix #4117 Due to the type difference, the HR data of tddft correction term must be added independently to get a correct HR matrix. I modified...

Wrong output Matrices in tddft calculation

4

### Describe the bug The output Matrices, H(R),S(R),S(k)，are totally wrong if 'esolver_type=tddft'. It's a problem occurs only in versions later than 3.5.0. Since tddft didn't changed from 3.4.4 to 3.5.0,...

System displacement can cause force calculation errors

1

### Describe the bug During my tests on the CO molecule, I found that if the entire molecule undergoes a displacement, the resulting force differs significantly. This seems absurd to...