Runing yambo for yambo -o c -t a for Sih4

Elham · Post by **Elham** » Sat Dec 18, 2010 6:47 am

Dear All,
We wish to run the Sih4 example. In the attachment you can find the nscf input and the results for Yambo -o c -t a with different paraeters similar to the example.
Every things are going well but the peaks position are different from the example. Would you please let we know what is the problem ?

Regards
Elham Ashori
IASBS

Post by **andrea marini** » Sun Dec 19, 2010 12:30 am

Dear elham, there is no attached file to your post. Try to post again and in case it does not work use zipped file.

Andrea

Elham · Post by **Elham** » Wed Dec 22, 2010 2:06 pm

Please find in the attachment the rar file. Input of pwscf and out put for yambo optic for sih4 in the example.

regards
Elham

Post by **claudio** » Thu Dec 23, 2010 10:12 am

Dear Elham

try download again the input files from the yambo web site:

http://www.yambo-code.org/tutorials/fil ... l_SiH4.zip

I just updated them, removing misleading input files,
you have pw_scf.inp for the ground state, pw_nscf.inp for the non-selfconsistent calculation
and then 01_init for the yambo setup, finally 02_alda_gspace that will produce exactly the
result on the web.

Claudio

Elham · Post by **Elham** » Thu Jan 06, 2011 10:30 am

Dear All,
I run exampel SiH4,I can't reduce number MaxGvecs from 90447 to 50447 by yambo -i -V RL in the input 01_init
how do I reduce number MaxGvecs?
Elham

Post by **andrea marini** » Mon Jan 10, 2011 10:30 am

This post has been continued and answered here.

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