[Pw_forum] help on convergence

bamidele ibrahim bamideleibrahim at yahoo.com
Sun Apr 8 15:08:47 CEST 2012


Dear all,
 I am working on TiO2 and running scf for this compound, i have not been able to get a convergence. I will be delighted if i can get help on this from any expert. I have with this mail the input file for the scf. 

 
Adetunji Bamidele Ibrahim(PhD Student)
Department of physics,University of Agriculture,
Abeokuta, Ogun State,Nigeria.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20120408/174c0151/attachment.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: TiO2D.scf.in
Type: application/octet-stream
Size: 611 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20120408/174c0151/attachment.obj>


More information about the users mailing list