Dear Developers,
When I followed the example of Silicon about the electron-phonon coupling using Yambo, I found the following tags which are missing in the manual of quantum espresso,
electron_phonon='dvscf'
electron_phonon='yambo'
Is there any special version of QE for Yambo? How can I run the PH calculation using in file as follows,
&inputph
tr2_ph=1.0d-6,
prefix='cuo8',
amass(1)=63.546,
amass(2)=63.546,
amass(3)=15.9994,
fildyn='cuo.dyn',
fildvscf='dvscf',
verbosity='high',
electron_phonon='yambo',
trans=.false.,
ldisp=.true.,
qplot=.true.
/
9
0.0 0.0 0.0 1
-0.0984269 0.2911256 0.1333000 1
-0.0521379 -0.4663521 -0.0060134 1
-0.2514277 0.3074942 0.2635288 1
-0.0082161 0.1198959 0.1045330 1
-0.1152867 0.4466286 -0.1122198 1
-0.1557386 -0.1220540 -0.0234657 1
-0.0662123 -0.4512908 -0.0457591 1
0.3664279 -0.2705629 -0.0188302 1
Thank you very much!
Best regards,
Hao Zhang
Questions about "electron_phonon"
Moderators: myrta gruning, andrea marini, Daniele Varsano, Conor Hogan
-
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Questions about "electron_phonon"
Dr. Hao Zhang
Department of Optical Science and Engineering, Fudan University,Shanghai 200433, China
http://homepage.fudan.edu.cn/zhanghao/
Department of Optical Science and Engineering, Fudan University,Shanghai 200433, China
http://homepage.fudan.edu.cn/zhanghao/
- amolina
- Posts: 135
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- Location: Valencia, Spain
- Contact:
Re: Questions about "electron_phonon"
Hi,
maybe this post can help you:
http://www.attaccalite.com/elena/how-to ... ith-yambo/
Cheers,
Alejandro.
maybe this post can help you:
http://www.attaccalite.com/elena/how-to ... ith-yambo/
Cheers,
Alejandro.
Alejandro Molina-Sánchez
Institute of Materials Science (ICMUV)
University of Valencia, Spain
Institute of Materials Science (ICMUV)
University of Valencia, Spain
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- Posts: 23
- Joined: Tue Oct 11, 2016 10:58 am
Re: Questions about "electron_phonon"
Hi,
as I say in the posts I wrote and Alejandro shared with you,
I suggest to use Quantum Espresso v-6.1.0.
Cheers
Elena
as I say in the posts I wrote and Alejandro shared with you,
I suggest to use Quantum Espresso v-6.1.0.
Cheers
Elena
-
- Posts: 39
- Joined: Thu Aug 23, 2018 9:18 am
- Location: Fudan University, Shanghai, China
- Contact:
Re: Questions about "electron_phonon"
Dear Elena,
Can Yambo 4.5 be compiled in QE6.1?Thank you!
Hao
Can Yambo 4.5 be compiled in QE6.1?Thank you!
Hao
elena.cannuccia wrote: ↑Thu May 14, 2020 2:23 pm Hi,
as I say in the posts I wrote and Alejandro shared with you,
I suggest to use Quantum Espresso v-6.1.0.
Cheers
Elena
Dr. Hao Zhang
Department of Optical Science and Engineering, Fudan University,Shanghai 200433, China
http://homepage.fudan.edu.cn/zhanghao/
Department of Optical Science and Engineering, Fudan University,Shanghai 200433, China
http://homepage.fudan.edu.cn/zhanghao/
- Daniele Varsano
- Posts: 3841
- Joined: Tue Mar 17, 2009 2:23 pm
- Contact:
Re: Questions about "electron_phonon"
Dear Hao,
yes, should you find any problem please post here the error you encounter with all the details to spot the problem (error message, config.log).
Best,
Daniele
yes, should you find any problem please post here the error you encounter with all the details to spot the problem (error message, config.log).
Best,
Daniele
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/