[Thermo_pw-forum] what='scf_2d_bands' example

Duc-Long Nguyen longnguyenqtr at gmail.com
Fri Mar 25 03:33:12 CET 2016


Dear Prof. Corso,

Thank you for your fast reply. The published paper is very a 
comprehensive work.
It seems surface(111) with an Oblique cell is not implemented yet in 
thermo_pw with 'scf_2d_bands' option.
I was successfully do an example for Al(100) case but was unable to do 
for the (111) case.
Could you please give a further hint?

With best regards,
Duc-Long

On 03/23/2016 02:40 PM, Andrea Dal Corso wrote:
> There is a published paper with an example of what can be obtained
> with this option.
>
> See
>
> Surf. Sci. 637-638, 106 (2015)
>
>
> HTH,
>
> Andrea
>
>
>
> Quoting Duc-Long Nguyen <longnguyenqtr at gmail.com>:
>
>> Dear all,
>>
>> I couldn't aware an example for the option what='scf_2d_bands'.
>> I  appreciate very much if we can discuss one case.
>>
>> With best regards,
>> Duc-Long
>>
>>
>> --
>> Duc-Long Nguyen
>> Graduate Student, Molecular Science and Technology Program, TIGP
>> Institute of Atomic and Molecular Sciences,
>> Academia Sinica, Taipei 106, Taiwan
>> Phone +886-979279073
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>
>
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