[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 

> 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*
> "
>
> bests
>
> sanjeev
>
>
>
> On Fri, Dec 7, 2012 at 3:00 AM, Yue-Wen Fang 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
>> East China Normal University 
>> Phone: +86-18321726131
>> I will persist until I succeed!
>>
>>
>>
>>
>> ___
>> Pw_forum mailing list
>> Pw_forum at pwscf.org
>> http://pwscf.org/mailman/listinfo/pw_forum
>>
>
>
>
> --
> Dept. of Physics
> Michigan Technological University
> 1400 Townsend Drive
> Houghton
> MI 49931, USA
>
> ___
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>



-- 

Yue-Wen FANG, PhD candidate
Key Laboratory of Polar Materials and Devices, Ministry of
Education
East China Normal University 
Phone: +86-18321726131
I will persist until I succeed!
-- next part --
An HTML attachment was scrubbed...
URL: 
http://pwscf.org/pipermail/pw_forum/attachments/20121208/705aed4e/attachment.html
 

[Pw_forum] Compute Debye temperature

[Yue-Wen Fang]

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
East China Normal University 
Phone: +86-18321726131
I will persist until I succeed!
-- next part --
An HTML attachment was scrubbed...
URL: 
http://pwscf.org/pipermail/pw_forum/attachments/20121207/5fa0fe02/attachment-0001.html
 

[Pw_forum] Compute Debye temperature

[Sanjeev Gupta]

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*
"

bests

sanjeev



On Fri, Dec 7, 2012 at 3:00 AM, Yue-Wen Fang  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
> East China Normal University 
> Phone: +86-18321726131
> I will persist until I succeed!
>
>
>
>
> ___
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>



-- 
Dept. of Physics
Michigan Technological University
1400 Townsend Drive
Houghton
MI 49931, USA
-- next part --
An HTML attachment was scrubbed...
URL: 
http://pwscf.org/pipermail/pw_forum/attachments/20121207/7067cbbc/attachment.html