[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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