Re: [Wien] Confusion on starting prec 2 after prec 1 on the same struct file.

Actually, it is strongly recommended to use the previously converged density (init -prec 2 -nodstart), except when RMTs were .gt. 2.3 bohr. In this case the RMTs get reduced to 2.3 and the old clmsum files cannot be used. I'll probably modify init_lapw such that the reduction of the RMTs can

Re: [Wien] Confusion on starting prec 2 after prec 1 on the same struct file.

Dear Pranjal, it was discussed in mailing list, -prec 2/3 may change some settings which does not allow to reuse previous calculations.   Sincerely, M.   >  >>Dear All, >>  >>Hello. >>  >>Version 23.2 >>  >>Suppose if I do a calculation with prec 1 and then I save everything that I >>need (save_

[Wien] Confusion on starting prec 2 after prec 1 on the same struct file.

Dear All, Hello. Version 23.2 Suppose if I do a calculation with prec 1 and then I save everything that I need (save_lapw). On the same structure I would like to do the same calculations BUT this time with prec 2. In this case, when I run SCF, do I need to delete the old scf files or can I k