Hi,
Can you please provide all your input files (scf, nscf, and epw)? What is the code version that you are using?
Thanks,
Roxana
Search found 172 matches
- Sat Jul 25, 2020 4:17 pm
- Forum: General discussion
- Topic: Regarding Tc of MgB2
- Replies: 10
- Views: 7822
- Fri Jul 24, 2020 4:46 pm
- Forum: General discussion
- Topic: Regarding Tc of MgB2
- Replies: 10
- Views: 7822
Re: Regarding Tc of MgB2
Hi Sandeep,
Are you using the same NC pseudopotentials as provided in the EPW example?
Best,
Roxana
Are you using the same NC pseudopotentials as provided in the EPW example?
Best,
Roxana
- Thu Jul 23, 2020 3:33 pm
- Forum: General discussion
- Topic: Regarding cartesian points in epw.in for MgB2
- Replies: 8
- Views: 4879
Re: Regarding cartesian points in epw.in for MgB2
Hi Sandeep,
The 4th column gives the weight of each irreducible q-point.
Best,
Roxana
The 4th column gives the weight of each irreducible q-point.
Best,
Roxana
- Thu Jul 23, 2020 3:32 pm
- Forum: General discussion
- Topic: gap_distribution_FS routine/problem of spiky gap distribution
- Replies: 7
- Views: 4535
Re: gap_distribution_FS routine/problem of spiky gap distribution
You can comment the line in the code that checks that the smearing degaussw is not more than 1/4 of fsthick and recompile the code. However, I would not recommend doing that since degaussw is used in other parts of the code as well. Instead you can define weight based on the smearing value you would...
- Tue Jul 21, 2020 3:50 pm
- Forum: General discussion
- Topic: gap_distribution_FS routine/problem of spiky gap distribution
- Replies: 7
- Views: 4535
Re: gap_distribution_FS routine/problem of spiky gap distribution
Hi,
This step is only meant indeed for visualization purposes. If you increase the smearing value you should get a smother curve.
Best,
Roxana
This step is only meant indeed for visualization purposes. If you increase the smearing value you should get a smother curve.
Best,
Roxana
- Fri May 15, 2020 4:00 pm
- Forum: Running the code
- Topic: SCDM-k bug with different pseudopotentials?
- Replies: 17
- Views: 10396
Re: SCDM-k bug with different pseudopotentials?
Hi,
Just to add to Hyungjun email. SCDM-k implementation in EPW and pw2wannier.f90 subroutines should be the same unless some modifications were done in the pw2wannier.f90 implementation sometime after the release of QE 6.5 in November 2019.
Best,
Roxana
Just to add to Hyungjun email. SCDM-k implementation in EPW and pw2wannier.f90 subroutines should be the same unless some modifications were done in the pw2wannier.f90 implementation sometime after the release of QE 6.5 in November 2019.
Best,
Roxana
- Fri May 08, 2020 10:55 pm
- Forum: Running the code
- Topic: Pb superconducting properties calculation (tutorial at 2018 ICTP school)
- Replies: 5
- Views: 3799
Re: Pb superconducting properties calculation (tutorial at 2018 ICTP school)
Hi, If you plan only to run isotropic ME starting from a file you need to use something like in the following input -- &inputepw prefix = 'lead' amass(1) = 207.2 outdir = './' ep_coupling = .false. elph = .false. kmaps = .false. epbwrite = .true. epbread = .false. epwwrite = .true. epwread = .false....
- Fri May 01, 2020 3:14 pm
- Forum: Running the code
- Topic: Pb superconducting properties calculation (tutorial at 2018 ICTP school)
- Replies: 5
- Views: 3799
Re: Pb superconducting properties calculation (tutorial at 2018 ICTP school)
Hi, As shown in all examples on EPW there are two sets of grids for both electrons and phonons: 1) the starting coarse grids that have to be uniform and consistent with nscf and phonon calculations and k- grid should be the same as the nscf calculation nk1 = XXX nk2 = XXX nk3 = XXX q-grid should be ...
- Thu Oct 10, 2019 5:16 pm
- Forum: General discussion
- Topic: existence of the superconducting gap
- Replies: 1
- Views: 2053
Re: existence of the superconducting gap
Yes, you can calculate the superconducting gap by solving the Migdal-Eliashberg equations.
- Thu Oct 03, 2019 12:54 pm
- Forum: General discussion
- Topic: Will EPW work if one uses nat_todo variable in QE?
- Replies: 1
- Views: 2052
Re: Will EPW work if one uses nat_todo variable in QE?
Most likely it won't work.