[Pw_forum] Compute Debye temperature

[Yue-Wen Fang]

Hi, Dr Sanjeev

Because the title of the first email had not been filled in, i  had to send
the email with same content again to attract more concern. Forgive me! Aha~
As for the question, thank you for your perfect reply. In fact, i have
compiled QHA package before, but did't confirm debye.x is the tool to
compute debye temperature, i thought lambda.x also could do this job!
However, from your reply, i suppose the right way is to use debye.x not
lambada.x. Right?

Best!
Yue-Wen FANG


2012/12/7 Sanjeev Gupta <physics.skgupta at gmail.com>

> Please do not mail again -again.
> 1. with PWSCF package, find utility QHA, read and install.
> see this post:
> http://www.democritos.it/pipermail/pw_forum/2011-October/022205.html.
> I also suggest, please read this good article also,
> http://arxiv.org/abs/1112.4977v1
>
> Further, read solid state Physics, like : "Solid State Physics: Neil W.
> Ashcroft, N. David *Mermin*<http://www.google.com/url?url=http://www.amazon.com/Solid-State-Physics-Neil-Ashcroft/dp/0030839939&rct=j&sa=U&ei=UAHCUOSNN4fQygGplYDgCQ&ved=0CBQQFjAA&q=Ashroff+and+Mermin%22+&usg=AFQjCNEz27QoQu--Ekg2u8b7kxedW3_FuQ>
> "
>
> bests
>
> sanjeev
>
>
>
> On Fri, Dec 7, 2012 at 3:00 AM, Yue-Wen Fang <yuewen.fang at gmail.com>wrote:
>
>> Dear all,
>>
>> when computing *superconductivity*, I am puzzled by following questions:
>> *1. *How to compute the *Debye temperature* in PWSCF?
>> *2. *Can  *lambda.x* or (and)  *debye.x* calculate the Debye
>> temperature?
>> *3. *What are the *differences between lambda.x and  debye.x*? What* theory
>> (or formula) *are they depend on?
>> Any comments and suggestions are welcome！
>> Thank you!
>>
>>
>>
>> --
>>
>> ------------------------------------------------------------------------------------------------------------
>> Yue-Wen FANG, PhD candidate
>> Key Laboratory of Polar Materials and Devices, Ministry of Education<http://clpm.ecnu.edu.cn/>
>> East China Normal University <http://www.ecnu.edu.cn/english/>
>> Phone: +86-18321726131
>> I will persist until I succeed!
>>
>>
>>
>>
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>>
>
>
>
> --
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> Michigan Technological University
> 1400 Townsend Drive
> Houghton
> MI 49931, USA
>
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>



-- 
------------------------------------------------------------------------------------------------------------
Yue-Wen FANG, PhD candidate
Key Laboratory of Polar Materials and Devices, Ministry of
Education<http://clpm.ecnu.edu.cn/>
East China Normal University <http://www.ecnu.edu.cn/english/>
Phone: +86-18321726131
I will persist until I succeed!
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