[SIESTA-L] Temperature during CG calculation

Fri, 20 Jun 2014 00:30:07 -0700 

Dear SIESTA users,

I did a calculation on gold using MD.TypeOfRun conjugate gradient. One of the 
output files called md_comp.MDE (attached herewith) gives information on the T, 
KS energy, Total energy, Volume and Pressure for every step during the 
optimization procedure.
In my input (attached herewith), I specified the MD.InitialTemperature and the 
MD.TargetTemperature as 300K. However, I find that the Temperature in the 
md_comp.MDE file is 0 K.
Can anyone give me an explanation for this?  Why the temperature is always 0 K??

Thanks.

Best regards
Kausala

Attachment: Au_md_compression.fdf
Description: Au_md_compression.fdf

Attachment: md_comp_MDE
Description: md_comp_MDE

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