[QE-users] SCF convergence not achieved after 100 steps
Pausali Nandi
pausalinandi at gmail.com
Sat Mar 13 18:13:36 CET 2021
Requesting Users to kindly help me out with this
On Sat, Mar 13, 2021 at 6:34 PM Pausali Nandi <pausalinandi at gmail.com>
wrote:
> Dear Users,
> I am trying to relax the ions and cell parameters of WSe0.94Nb0.06 sample,
> but I am unable to get SCF convergence for the system. Kindly help me with
> this. I am attaching the input file along with this email.
>
> Thanks and Regards,
>
> --
> Pausali Nandi
> M.Tech Functional Materials and Devices
> Department of Physics
> Indian Institute of Technology, Kharagpur
> Kharagpur, West Bengal
>
--
Pausali Nandi
M.Tech Functional Materials and Devices
Department of Physics
Indian Institute of Technology, Kharagpur
Kharagpur, West Bengal
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