Questions about "electron_phonon"

Run-time issues concerning Yambo that are not covered in the above forums.

Moderators: andrea marini, Daniele Varsano, myrta gruning, Conor Hogan

Post Reply
plasmon
Posts: 31
Joined: Thu Aug 23, 2018 9:18 am
Location: Fudan University, Shanghai, China
Contact:

Questions about "electron_phonon"

Post by plasmon » Wed May 13, 2020 2:33 pm

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
Dr. Hao Zhang
Department of Optical Science and Engineering, Fudan University,Shanghai 200433, China
http://homepage.fudan.edu.cn/zhanghao/

User avatar
amolina
Posts: 129
Joined: Fri Jul 15, 2011 11:23 am
Location: Valencia, Spain
Contact:

Re: Questions about "electron_phonon"

Post by amolina » Thu May 14, 2020 11:00 am

Hi,
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

elena.cannuccia
Posts: 20
Joined: Tue Oct 11, 2016 10:58 am

Re: Questions about "electron_phonon"

Post by elena.cannuccia » 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

plasmon
Posts: 31
Joined: Thu Aug 23, 2018 9:18 am
Location: Fudan University, Shanghai, China
Contact:

Re: Questions about "electron_phonon"

Post by plasmon » Thu May 21, 2020 11:20 pm

Dear Elena,

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/

User avatar
Daniele Varsano
Posts: 2723
Joined: Tue Mar 17, 2009 2:23 pm
Contact:

Re: Questions about "electron_phonon"

Post by Daniele Varsano » Fri May 22, 2020 8:40 am

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
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/

Post Reply