Dear All,
We wish to run unitcell of carbon nano tube and surface of CNT. the results for Yambo -o c -t a with different this two cace.
Every things are going well but the peaks position are different from the papers. Would you please let we know what is the problem ?
Regards
Elham Ashori
IASBS
Runing yambo for yambo -o c -t a for CNT
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Daniele Varsano
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Re: Runing yambo for yambo -o c -t a for CNT
Dear Elham,
It is not easy to help you as you gave very few details. Please, post the reference of the papers you are comparing and the inputs, outputs and reports of your calculations.
Cheers,
Daniele
please note that this is not the right place for your post, you should post this kind of question in the "Running Yambo" section and not
in "Import core database/PW".
It is not easy to help you as you gave very few details. Please, post the reference of the papers you are comparing and the inputs, outputs and reports of your calculations.
Cheers,
Daniele
please note that this is not the right place for your post, you should post this kind of question in the "Running Yambo" section and not
in "Import core database/PW".
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/