About scf error: rho0(ir) < 0 about must HOT 2 CLOSED

This error may happen if the CPA calculation is not properly converged. You may check your output file to make sure if the the CPA convergence has indeed achieved at each energy point. Usually increasing the number of k-points and/or decreasing the mixing parameter for CPA iteration will improve the CPA convergence.
Another cause of the problem could be related to the potential being divergent. You may use simple mixing scheme to run 20 SCF iterations to stabilize the potential change from iteration to iteration, and then switch to more aggressive Broyden mixing scheme to speed up the SCF convergence.
The starting potential you use may also be ill conditioned for the unit cell volume you are calculating. You may use the converged potential from the calculation for the other unit cell volume as the starting potential for the volume you are trying to calculate. So long as the lattice constant difference between the two cases is less than 0.2 atomic units, this trick usually works quite well.

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@wangy2014 Prof.Wang, Thank you very much for your suggestions. I will try those solutions.

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