GW band structure
Posted: Thu Jun 21, 2012 7:20 pm
Have anyone being able to get a GW band structure using KPOINTS file with high simmetry lines in the Brillouin zone.
We get the following error at the end
|
| The derivative of the wavefunctions with respect to k (WAVEDER)
| can not be found. You must redo the groundstate calculations
| using LOPTICS=.TRUE. in order to write the WAVEDER file.
|
and also
| internal ERROR in RE_READ_KPOINTS: the total number of non zero k-points in the full Brillouine zone has changed 8 29
I have followed teh previous posts but found no answer to that.
We get the following error at the end
|
| The derivative of the wavefunctions with respect to k (WAVEDER)
| can not be found. You must redo the groundstate calculations
| using LOPTICS=.TRUE. in order to write the WAVEDER file.
|
and also
| internal ERROR in RE_READ_KPOINTS: the total number of non zero k-points in the full Brillouine zone has changed 8 29
I have followed teh previous posts but found no answer to that.