[Wien] PGFIO!!

[zufengxia at sohu.com]

Thanks Prof. P.Blaha in advance.
 
> Is the scf converging ?     grep :DIS CHNO.scf
 The scf is converging, but it has not reached the precision.
 
> Did you choose a high E-cut between core/valence states or the default of 6 Ry ?
 I choosed the default.

> Do you get the correct charge using
> grep :NEC01 case.scf
 :NEC01: NUCLEAR AND ELECTRONIC CHARGE 380.00000 379.99199 1.00002.

In addition, I found the  "***********" occured in the case.vnsdn instead of the data .


Regards.

F.X.Zu