Hi Shi,
I would recommend you to read this paper; https://journals.aps.org/prb/pdf/10.110 ... .87.024505
You can see two examples, Pb (isotropic) and MgB2 (anisotropic).
Happy EPWing,
Hari
Search found 191 matches
- Fri Oct 14, 2022 1:51 pm
- Forum: General discussion
- Topic: anisotropic ME equation and isotropic equation
- Replies: 4
- Views: 3833
- Fri Oct 14, 2022 1:46 pm
- Forum: General discussion
- Topic: NaN appeared when calculating the ME equation
- Replies: 1
- Views: 2647
Re: NaN appeared when calculating the ME equation
Hi Shi, Usually, if the number you are printing is not a number, then NAN appears in your output files. I can not say why in your case without seeing your full output file. The convergence is controlled (for limag = .true) by; https://docs.epw-code.org/doc/Inputs.html#conv-thr-iaxis Happy EPWing, Hari
- Fri Oct 14, 2022 1:40 pm
- Forum: General discussion
- Topic: how to set fsthick and.....
- Replies: 3
- Views: 4265
Re: how to set fsthick and.....
Hi Shi, You need to get your results converged with respect to fsthick and wscut. Typically, we use; fsthick = 4 times the maximum phonon frequency (and also please set your degaussw to 1/4 of fsthick) wscut = 10 times the maximum phonon frequency and muc = 0.1 to 0.2 (you can compare your Tc with e...
- Wed Oct 12, 2022 12:48 pm
- Forum: General discussion
- Topic: anisotropic ME equation and isotropic equation
- Replies: 4
- Views: 3833
Re: anisotropic ME equation and isotropic equation
Hi Shi,
When there is anisotropy in superconducting gap, one need to solve anisotropic ME equations, for example in MgB2, and if there is no anisotropy, both aniso/iso give comparable Tc.
The McMillan Tc is close to the isotropic Tc.
Happy EPWing,
Hari
When there is anisotropy in superconducting gap, one need to solve anisotropic ME equations, for example in MgB2, and if there is no anisotropy, both aniso/iso give comparable Tc.
The McMillan Tc is close to the isotropic Tc.
Happy EPWing,
Hari
- Tue Oct 11, 2022 1:03 pm
- Forum: Running the code
- Topic: My job has jump out when epw.x
- Replies: 2
- Views: 1425
Re: My job has jump out when epw.x
Hi Shi,
Do you have any error/out messages printed somewhere? It is not easy to say exactly what is going on based on what you shared. One thing I can recommend is to lower your fine meshes, for example nkf1 = 10, nkf2 = 10 and nqf1 = 5, nqf2 = 5 and see if you could run or not.
Happy EPWing,
Hari
Do you have any error/out messages printed somewhere? It is not easy to say exactly what is going on based on what you shared. One thing I can recommend is to lower your fine meshes, for example nkf1 = 10, nkf2 = 10 and nqf1 = 5, nqf2 = 5 and see if you could run or not.
Happy EPWing,
Hari
- Tue Oct 11, 2022 12:56 pm
- Forum: General discussion
- Topic: What is xx.epb files??
- Replies: 2
- Views: 2007
- Tue Sep 20, 2022 3:05 pm
- Forum: General discussion
- Topic: Mode resolved EPC
- Replies: 2
- Views: 2220
Re: Mode resolved EPC
Hi mkmr484,
I think in the beginning, working through some tutorials would really help understanding the input/output file/format. For example, https://epwdoc.gitlab.io/source/doc/MgB2.html will help you.
Best,
Hari
I think in the beginning, working through some tutorials would really help understanding the input/output file/format. For example, https://epwdoc.gitlab.io/source/doc/MgB2.html will help you.
Best,
Hari
- Fri Sep 16, 2022 3:04 pm
- Forum: General discussion
- Topic: problem in phonon calculation
- Replies: 3
- Views: 2372
Re: problem in phonon calculation
Hi Sourav, I guess you are talking about the phonon calculation using quantum espresso (not the phonon interpolation using EPW), right? If yes, you may get better suggestions from quantum espresso forum; https://www.quantum-espresso.stage.24h.it/users-forum/. At this point, I recommend you sharing y...
- Wed Sep 14, 2022 5:38 pm
- Forum: General discussion
- Topic: Clarification on "Summed el-ph coupling"
- Replies: 2
- Views: 1898
Re: Clarification on "Summed el-ph coupling"
Hi Prachi,
Please have a look at the following equations,
https://tinypic.host/i/a2f-2.sZYpb
For detail, please have a look at eqs. (205) and (206) of
https://journals.aps.org/rmp/pdf/10.110 ... .89.015003
I hope you will get your answer.
Best,
Hari
Please have a look at the following equations,
https://tinypic.host/i/a2f-2.sZYpb
For detail, please have a look at eqs. (205) and (206) of
https://journals.aps.org/rmp/pdf/10.110 ... .89.015003
I hope you will get your answer.
Best,
Hari
- Sun Sep 11, 2022 8:28 pm
- Forum: Running the code
- Topic: Infinite value of Allen-dynes Tc, whichI believe leads to NAN in following calculations
- Replies: 4
- Views: 1974
Re: Infinite value of Allen-dynes Tc, whichI believe leads to NAN in following calculations
Hi Prachi,
The Tc is printed as follows
https://gitlab.com/QEF/q-e/-/blob/devel ... d.f90#L729
******* in your output file does not mean zero, but the way it is printed is not appropriate to print the very small value which is close to zero.
Best,
Hari
The Tc is printed as follows
https://gitlab.com/QEF/q-e/-/blob/devel ... d.f90#L729
******* in your output file does not mean zero, but the way it is printed is not appropriate to print the very small value which is close to zero.
Best,
Hari