Search found 82 matches

by eliephys78
Thu May 13, 2021 7:44 pm
Forum: Electron-phonon
Topic: question about the integrated el-ph coupling constant (function of frequency)
Replies: 2
Views: 19768

Re: question about the integrated el-ph coupling constant (function of frequency)

Dear Hari,

Thanks for the references. I will have a look.

Regards
by eliephys78
Tue May 11, 2021 7:37 pm
Forum: Electron-phonon
Topic: question about the integrated el-ph coupling constant (function of frequency)
Replies: 2
Views: 19768

question about the integrated el-ph coupling constant (function of frequency)

Dear All, How is the el-ph coupling as a function of frequency (lamb(w)) calculated manually? Let us say we have how the a2F varies with frequency and we want to calculate the lamb(w) at w=w0. Is it simply the sum of 2*a2F(w)/w up to w=w0 divided by the number of frequency points up to w0? Does it w...
by eliephys78
Thu Mar 25, 2021 10:07 pm
Forum: Running the code
Topic: Error in routine mix_broyden(1) :factorization
Replies: 5
Views: 5205

Re: Error in routine mix_broyden(1) :factorization

Dear Dr. Lee, Thanks for your message. I have checked this post last year. However what got me confused is the flag system_2d=.true. in the input (Documentation) "system_2d Default .false. Description If .true. the system is two-dimensional (vaccum is in z-direction) and the k and q meshes are defin...
by eliephys78
Thu Mar 25, 2021 3:29 pm
Forum: Running the code
Topic: Error in routine mix_broyden(1) :factorization
Replies: 5
Views: 5205

Re: Error in routine mix_broyden(1) :factorization

Dear Drs. Lee and Roxana, Thanks for your messages. Dr. Roxana, i will check that. Dr. Lee, indeed the exclude bands flag should have been 1,2,17-40. Regarding the system_2d flag, I have been using it to compute EPW for some 2D structures I am working on.. I haven't got any errors. So I thought ther...
by eliephys78
Thu Mar 25, 2021 1:02 pm
Forum: Running the code
Topic: Error in routine mix_broyden(1) :factorization
Replies: 5
Views: 5205

Error in routine mix_broyden(1) :factorization

Dear, I am still having problems calculating the superconducting gap and Tc using The Eliashberg formalism. From the McMillan Dynes formula , I expect the superconducting temperature to be ~2.9K which was estimated using EPW. I have run the isotropic Eliashberg calculation for temps(1)=0.9 and incre...
by eliephys78
Fri Mar 19, 2021 2:49 am
Forum: Running the code
Topic: Restarting with finer kf and qf grids to solve the Eliashberg equations
Replies: 2
Views: 1894

Re: Restarting with finer kf and qf grids to solve the Eliashberg equations

Thanks a lot for the reply.

I will try and see what happens

Regards
by eliephys78
Thu Mar 18, 2021 1:37 pm
Forum: Running the code
Topic: Restarting with finer kf and qf grids to solve the Eliashberg equations
Replies: 2
Views: 1894

Restarting with finer kf and qf grids to solve the Eliashberg equations

Dear all, How do we restart a calculation to solve the Eliashberg equations for the superconducting gap for finer kf and qf grids so that the code wouldn't start all over again from scratch? i tried setting: elph = .true. kmaps = .true. epbwrite = .false. epbread = .false. epwwrite = .false. epwread...
by eliephys78
Thu Mar 18, 2021 3:44 am
Forum: Running the code
Topic: Error allocating epmatwe
Replies: 2
Views: 1948

Re: Error allocating epmatwe

Dear Dr. Lee,

Thanks for your response. It was indeed a memory problem.

Regards
by eliephys78
Wed Mar 17, 2021 12:24 pm
Forum: Running the code
Topic: Error allocating epmatwe
Replies: 2
Views: 1948

Error allocating epmatwe

Dear all, I am trying to calculate the superconducting gap of a system. EPW stops after: Computes the analytic long-range interaction for polar materials [lpolar] Use zone-centred Wigner-Seitz cells Number of WS vectors for electrons 1333 Number of WS vectors for phonons 157 Number of WS vectors for...
by eliephys78
Thu Mar 11, 2021 7:56 pm
Forum: Running the code
Topic: Error whilst calculating the superconducting gap
Replies: 3
Views: 2220

Re: Error whilst calculating the superconducting gap

I have increased the first value of the temperature from 0.3K to 0.9 K and it worked.

I was able to resolve the issue.

Thanks for your help