[Wien] Reg: Calculation of McMillan-Hopfield parameter

[Peram sreenivasa reddy]

Dear Blaha sir,

Thank you very much for your replay.

Here the problem comes in the calculation of <I^2>, square of the
electron-phonon matrix averaged over the Fermi surface. Here my questions
are:

1. To get alone <I^2> value do we need to use the rigid muffin-tin
approximation(RMTA)?
2. Is there any package or code available which can be used the WIEN2k
files as input files?


Thanking you.


On Wed, Jun 22, 2016 at 6:39 PM, Peter Blaha <pblaha at theochem.tuwien.ac.at>
wrote:

> No, it is not "printed".
>
> But all the required quantities can be derived from a band structure
> calculation and the rigid-muffin-tin approx.
>
> On 06/22/2016 05:53 AM, Peram sreenivasa reddy wrote:
>
>> Dear WIEN2k,
>>
>> Is it possible to calculate McMillan-Hopfield parameter directly with
>> WIEN2k, which is used to calculate electron-phonon coupling  of a
>> particular superconducting material as given in PHYSICAL REVIEW B 74,
>> 184519 (2006).
>>
>> I searched in the user guide. But there is no use.
>>
>> Thanking you ..
>>
>>
>>
>>
>> --
>> /P.V.SREENIVASA REDDY/
>> /Research Scholar
>> Department of Physics/
>> /Indian Institute of Technology/
>> /Hyderabad/
>>
>>
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>>
> --
>
>                                       P.Blaha
> --------------------------------------------------------------------------
> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
> Email: blaha at theochem.tuwien.ac.at    WIEN2k: http://www.wien2k.at
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-- 
*P.V.SREENIVASA REDDY*

*Research ScholarDepartment of Physics *
*Indian Institute of Technology*
*Hyderabad*
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