[Wien] stopped calcultions 2

[Stefaan Cottenier]

>I have tried the command runsp_lapw -NI after deleting all the files *.broy*.
>Unfortunately it's begib from the first cycle.
>
No, it doesn't. Do 'grep :DIS case.scf' and 'grep :ITE case.scf', and 
you should see that it continues the scf cycle at roughly the same 
charge distance where it left. Beginning 'from the first cycle' (i.e. 
from the charge density built from free atoms) is only possible if you 
would have run dstart again.

Stefaan