Dear all,

I got the error message from the CASTEP calculation as following.

---

Cannot use div_corr with variable occupancies
Current trace stack:
spectral_calculate_dft
castep
Cannot use div_corr with variable occupancies
Current trace stack:
spectral_calculate_dft
castep
Cannot use div_corr with variable occupancies
Current trace stack:
spectral_calculate_dft
---

I use the spin=1 option with the spin opt.

And the B3LYP functional was used.

The error message was printed in the [seedname]_BandStr.castep file.

Does anyone knows what the div_corr in the message means?

Thanks in advance

Best regards,

Rakhoon Choi