[Wien] BerryPi

[Dr. K. C. Bhamu]

Hii,

I saw it but is is not helpful. Out procedure differs in many ways.

Here the person is doing -sp+-so for Pt and he is not adding RLOs, using
TETRA 0.000, and taking plasma frequency as such from outputjoint file

while I am using RLO for Pb, TETRA 101 and sqrt(2)(w_pl).

I do not know if I do not apply RLO on Pb then how it will help me, rest of
his procedure I have followed but could not get results.



Regards
Bhamu


On Fri, Oct 27, 2017 at 11:03 AM, lokanath patra <
lokanath.patra007 at gmail.com> wrote:

> Dear Dr. Bhamu
>
> In this tutorial video for optical properties with so coupling, they are
> using x kgen with so symmetry. So I think we should use -so tag.
> https://www.youtube.com/watch?v=lDW7cy1oZR4&t=147s
>
> Check page no 135 of the UG to know about changing tetra.
>
> Regards
> Lokanath
>
>
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> On Thu, Oct 19, 2017 at 6:53 PM, Dr. K. C. Bhamu <kcbhamu85 at gmail.com>
> wrote:
>
>> Dear Lokanath,
>>
>> Happy Diwali!
>>
>> Hope you are enjoying your research at CU, TU.
>>
>> I am having same structure what you have in recent past.
>> https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at
>> /msg16508.html
>>
>> I have three queries and looking forward your favor.
>>
>> *My first query:*
>>
>> I am not getting  the reply submitted by   Jaroslav Hamrle
>> <https://www.mail-archive.com/search?l=wien@zeus.theochem.tuwien.ac.at&q=from:%22Jaroslav+Hamrle%22>
>> :
>> https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at
>> /msg16510.html
>>
>> 2b) when you want mesh for optical calculations to be finer, do:
>>   x kgen -so (to generate finer mesh)
>>   in third line in case.in2, *change value of TETRA to be 101*                >> what does he mean by changing the value of TETRA?
>>
>>
>> *Second:*
>>
>> I have PbCrO3 system with spin polarised and spin-orbit coupling.
>> I am running the case with 8 8 6 (total 35) k-points.
>>
>>
>> *Third:*
>>
>> my next question is:   what is mean by -s in your run script
>>
>> runsp_lapw -p -so -cc 0.000001 -ec 0.0000001 -s lapw1
>>
>>
>> Do I need to increase k-mesh using "x kgen -so" or "x kgen" is sufficient?
>>
>>
>>
>> Regards
>> Bhamu
>>
>
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