[Pw_forum] question about bands calculation

[Paolo Giannozzi]

On Oct 21, 2006, at 20:31 , lan haiping wrote:

>  Just after finished a 'scf' calculation for tio2, i performed a  
> series (about 5)  'nscf' calculations with  different k-grid paths.  
> Except k-grid path, all settings are the same for these series '  
> nscf '  calculation. In some nscf-output,  the values of "Highest  
> occupied level and lowest unoccuped level"  are  found. But  these  
> values are not found in the other nscf-output .

you should specify a number of bands larger than the number of
of occupied states

Paolo