[Pw_forum] Convergence

Winfred Mulwa mulwawinfred at gmail.com
Sat Jun 6 08:22:32 CEST 2015

Dear all,
I am doing the optical properties of TiO2 doped with Erbium, but my scf
is not converging. Please some body help. Attached is the input file.
Kind regards
Mulwa Winfred.
D Phil Student, Computational Material Science Group,
University of the Free State - QwaQwa,
South Africa.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20150606/90d8249b/attachment.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: ana3.scf.in
Type: application/octet-stream
Size: 6659 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20150606/90d8249b/attachment.obj>

More information about the users mailing list