[Pw_forum] orbital dependent dos

sudipta sudiptakoley20 at gmail.com
Fri Sep 23 11:37:38 CEST 2016


After getting the output how to get total p orbital DOS from that.
Because I am getting for total angular momentum j=0.5,1.5 for p orbital.
More over some values are negative also.

On Fri, Sep 23, 2016 at 12:46 AM, Manu Hegde <mhegde at uwaterloo.ca> wrote:

> http://www.quantum-espresso.org/wp-content/uploads/Doc/INPUT_PROJWFC.html
> please go through it and read orbital order under notes..
> hope it helps you..
>
> On Thu, Sep 22, 2016 at 1:47 PM, sudipta <sudiptakoley20 at gmail.com> wrote:
>
>> How to get orbital dependent dos from projwfc outputs.
>> Like if I want to get p -orbital dos, d-orbital dos.
>> Please help me.
>>
>> --
>> Sudipta koley
>> Department of Physics
>> IIT KHARAGPUR
>>
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>
>
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-- 
Sudipta koley
Department of Physics
IIT KHARAGPUR
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