[Pw_forum] problem of the convergence in surface calculation of magnetic insulator

Sonu Kumar 1009ukumar at gmail.com
Fri Nov 16 06:51:24 CET 2012


To complete ...

> /
>> &electrons
>> conv_thr = 1e-7,
>> mixing_mode = 'plain'
>> mixing_beta=0.1,
>> /
>>
>> Also try  mixing_mode=local-TF  and range of mixing _beta values.

regards,
SK
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