[Pw_forum] gap from DOS and bandstructure

Mansoureh Pashangpour mansourehp at gmail.com
Thu Jun 11 09:11:58 CEST 2009


Dear 潘登
yes you are right. I am using LSDA+U and sigma-GGA+U for FeO. But I didn't
set U_projection_type to 'file' . Do you think it might be root of error? I
want to test it.
( I used starting_ns_eigenvalue in my inputs)
I am look forward to hearing from you
Pashangpour

On Thu, Jun 11, 2009 at 11:07 AM, 潘登 <panda.deng.pan at gmail.com> wrote:

> Without detail no one can help you.
>
> 2009/6/11 Mansoureh Pashangpour <mansourehp at gmail.com>
>
>>   Dear all
>>  I have calculated DOS and Bandstructure  for a system.
>>  I expect to find similar gap from two runs.
>> But they have 0.4 eV difference with each other. What is the root of this
>> differenc?
>> Thanks
>> Pashangpour
>>
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>
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