[Wien] Coult not reproduced results of CoSb3

[fatima DFT]

Thank you very much Sir,
Last and final question for this thread: Please have a look at the chart of
carrier concentration at :FER.
https://sites.google.com/site/dftfatima5/letter/mailing-list-queries/Comparision.xlsx
 in the excel sheet.
 What I calculated is named with my data and for Madsen I named it CoSb3.
In my case the initial and final value of carrier concentration are
0.01765558 and 0.07576401, respectively while in Madsen it ranges from
0.01137173 to 0.03217826 in the Tem range 100 to 800K.

>From Seeback coefficient at Tem_100K I got Seeback coefficient values
 0.001592  and -0.001695  while from Madsen's data I see: 0.001416 and
-0.001514.

Can we ignore this difference?


On Sun, May 21, 2017 at 8:44 PM, Laurence Marks <L-marks at northwestern.edu>
wrote:
> If I am reading this right, you are concerned about a difference of
> 0.004 Ryd between a 1993 calculation and a recent one. Since :FER is a
> relative number, not an absolute one, there are many, many, many small
> numerical changes which can easily give such a minor difference. I
> don't think this should be a concern.
>
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