[Pw_forum] ESM and ESM_w

[Bahadır salmankurt]

Dear Nkosinathi,

It seems the problem occured in iterations. Can you give us input file?

pls reduce mixing_beta to 0.3 or lower. also change mixing_mode to local_TF
and add a few extra bands.

*bests*
Bahadir

2015-07-30 9:48 GMT+03:00 Nkosinathi Malaza <nuttymalaza at gmail.com>:

> Dear family,
>
> I want to introduce the ESM and ESM_w on a supercell of 123 Al-H2O atoms.
> When I do introduce the ESM on the system it does not finish running.
>
> I have attached the output file.
>
> Kind regards
> N. Malaza
>
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