EPW Forum

Dear H. Lee： Thank you very much for your help and advice. real(4) :: bvec1(3), bvec2(3), bvec3(3) ! Resiplocal lattice vector integer :: nk1, nk2, nk3 ! k-grid of each direction integer :: ishift ! 1 for shifted grid, 0 for unshifted grid. integer :: nbnd ! The number of bands real(4) :: eig(nk3,nk...

Dear H. Lee:

I just restart the interpolation part, I donot konw whether repeat the evaluation of e-ph vertex ?
but I get a good result.So, is it a successful calculation? even though it is no convergent.

Sincerely,

YSW

Dear H. Lee：

This image is invisible likely.
So,I provide the link of this image.

https://www.researchgate.net/publicatio ... -right.jpg


Sincerely,

YSW

Dear H. Lee：

Yes,you are right.But,if I want to limit the image in 1st BZ.
What I need to do ?

Just like this



Sincerely,

YSW

Dear all, I have a problem about fermi surface. I see the tutorial vedio that explains how to use the scripts in conjunction with VESTA.But it is a fermi surface in real space. How can I get fermi surface in BZ? A superconducting energy gap fermi surface in BZ of LaBH8. Roxana shows it in the youtub...

Dear H. Lee There are epw.in that I used for two calculations. First(include restart with different fsthick,and the lambda were different before and after the restart) -- &inputepw prefix = 'MgB2', amass(1) = 24.305, amass(2) = 10.811 outdir = './' ep_coupling = .true. elph = .true. kmaps = .false. ...

Dear H. Lee I realized a problem. In this case, you don't need to repeat the evaluation of e-ph vertex on fine grids if your fine k/q grids are unchanged. the evaluation of e-ph vertex,does it mean restart the interpolation part ? I just delete restart.fmt and restart with a new fsthick,but I have c...

Dear H. Lee PS) Could you confirm that your lambda doesn't change with any unrealistic degaussw (very large and very small degaussw)? Lambda is changed, when I repeat the evaluation of e-ph vertex on fine grids.If I not repeat it, lambda is unchanged. I use degaussw 0.1 and 0.2,respectively. Sincere...

Dear H. Lee For these questions, I test them with EXAMPLE(MgB2). I must delet restart.fmt to restart calculation with different degaussw so that I can get different lambda. I test MgB2's lambda with kf/qf (40/10 ,50/10 ,60/10 ,70/10 ,60/20 ,60/30),respectly. Can I through (40/10 ,50/10 ,60/10 ,70/10...

Dear H. Lee： In this case, you don't need to repeat the evaluation of e-ph vertex on fine grids if your fine k/q grids are unchanged. (I assume you are performing superconductivity calculations) If you already have ephwrite files, you can reuse them with different degaussw and degaussq . In my case,...