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construction details of Graphene on hexagonal boron nitride bilayer system
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Topic: construction details of Graphene on hexagonal boron nitride bilayer system (Read 13180 times)
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donmbringer
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Re: construction details of Graphene on hexagonal boron nitride bilayer system
«
Reply #15 on:
August 7, 2012, 20:15 »
Yeah. I mean, when I do this, the software did not fix the format (type) of the file. The file in the attachment is what I obtained by saving the cript. It seems that the default has no suffix.
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donmbringer
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Re: construction details of Graphene on hexagonal boron nitride bilayer system
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Reply #16 on:
August 8, 2012, 10:40 »
I have tried 500 V this morning, but it still doesn't work.
Could you please give me some help?
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Anders Blom
QuantumATK Staff
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Re: construction details of Graphene on hexagonal boron nitride bilayer system
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Reply #17 on:
August 8, 2012, 12:47 »
Script is Python (.py).
You need to run the calculation self-consistently, else there is of course no effect from the field.
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donmbringer
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Re: construction details of Graphene on hexagonal boron nitride bilayer system
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Reply #18 on:
August 8, 2012, 13:18 »
May I ask....how to turn on the self-consistant? I tried it when you mentioned yesterday, but I did not find the option for this inside Script window.
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Anders Blom
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Re: construction details of Graphene on hexagonal boron nitride bilayer system
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Reply #19 on:
August 8, 2012, 14:40 »
Untick "Non-selfconsistent".
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donmbringer
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Re: construction details of Graphene on hexagonal boron nitride bilayer system
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Reply #20 on:
August 8, 2012, 14:50 »
Ah.... Sorry for my careless before. It works. Many thanks!!
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construction details of Graphene on hexagonal boron nitride bilayer system