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
Runing yambo for yambo -o c -t a for Sih4
Moderators: myrta gruning, andrea marini, Daniele Varsano, Conor Hogan
- andrea marini
- Posts: 325
- Joined: Mon Mar 16, 2009 4:27 pm
- Contact:
Re: Runing yambo for yambo -o c -t a for Sih4
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
Andrea
Andrea MARINI
Istituto di Struttura della Materia, CNR, (Italy)
Istituto di Struttura della Materia, CNR, (Italy)
-
- Posts: 8
- Joined: Mon Dec 13, 2010 12:03 pm
Re: Runing yambo for yambo -o c -t a for Sih4
Please find in the attachment the rar file. Input of pwscf and out put for yambo optic for sih4 in the example.
regards
Elham
regards
Elham
You do not have the required permissions to view the files attached to this post.
- claudio
- Posts: 458
- Joined: Tue Mar 31, 2009 11:33 pm
- Location: Marseille
- Contact:
Re: Runing yambo for yambo -o c -t a for Sih4
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
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
Claudio Attaccalite
[CNRS/ Aix-Marseille Université/ CINaM laborarory / TSN department
Campus de Luminy – Case 913
13288 MARSEILLE Cedex 09
web site: http://www.attaccalite.com
[CNRS/ Aix-Marseille Université/ CINaM laborarory / TSN department
Campus de Luminy – Case 913
13288 MARSEILLE Cedex 09
web site: http://www.attaccalite.com
-
- Posts: 8
- Joined: Mon Dec 13, 2010 12:03 pm
Runing yambo for yambo -o c -t a for Sih4
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
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
- andrea marini
- Posts: 325
- Joined: Mon Mar 16, 2009 4:27 pm
- Contact:
Re: Runing yambo for yambo -o c -t a for Sih4
This post has been continued and answered here.
Andrea MARINI
Istituto di Struttura della Materia, CNR, (Italy)
Istituto di Struttura della Materia, CNR, (Italy)