[SIESTA-L] Problem in calculating optical properties

Sat, 26 May 2012 05:10:07 -0700 

Sir,

     I have been using siesta for calculating optical properties using
siesta... but when i give the command ./input <CdO.EPSIMG... i am getting
the following error. please help me...

[fiasco@localhost opti]$ ./input <CdO.EPSIMG
 ##  0. 3.
 ##  1
 ##  0.0131
 ##  0.0071
Fsum rule is not fulfilled by more than a  20%
 The dielectric function will be extended
 to higher energies by enforcing the Fsum rule
 This will increase the quality of the quantities
 calculated via the Kramers-Kroning relation

I am attaching my input file for consideration...
-- 
With Regards,

K L N Acharya,
M.Tech., Nanoelectronics,
SASTRA UNIVERSITY,
Thanjavur.

Attachment: CdO.fdf
Description: Binary data

Attachment: input.f
Description: Binary data

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