EPW Forum

Dear Hitoshi,

Thanks for your reply again.

I am testing the results at a moderate temperatureunder with different wscut, hope there will be good results.

Best & Regards,
Jianguo

Hi Hitoshi, Thanks for your reply. As you mentioned " For the first temperature point (which is considered the lowest), substitute the value outputted as 'Estimated BCS superconducting gap' as the initial value and solve the gap equation. ", I don't understand it clearly. If I transfer the Estimated...

Dear all, Recently, I caculated the gap distribution for my system via both v5.3.1& v5.4.1. And I found two strange results as following: 1、The gaps increase with the increase of temperature within a small range, as shown in Fig.1 as attachments. Why the gap gradually increase as indecated by the re...

Hi Jianguo, Unfortunately, I am unable to view the attached image, so I can only provide general comments. To achieve converged results, it is necessary to test wscut and the sizes of the k and q grids (nkf1, nkf2, nkf3, nqf1, nqf2, and nqf3). It is advisable to set wscut to at least 5 times the ma...

Dear all, When I calculating the gap function and the superconducting transition temperature, the main results as following: Electron-phonon coupling strength = 2.6437681 Estimated Allen-Dynes Tc = 67.665860 K for muc = 0.10000 Estimated w_log in Allen-Dynes Tc = 34.392584 meV Estimated BCS supercon...

Dear Hitoshi, Thanks for your kind reply. (1) I didn't use the mp_mesh_k=.true. before, and I will resubmit the job with " mp_mesh_k=.true." (2) Indeed, I used "iverbosity = 2" in my jobs due to I want to obtain the lambda or gap distribution on the Fermi surface. I will turn it as default value to ...

Dear all, (To be honest, I have post the same topic two days ago, but I can not find it now.) When I proferm calculation for a 3D system (38 wannier functions), the process always reports an error about memory (Specifically, not enough memory can be used). My job is cut into three steps. The first s...