EPW Forum

I would be surprise if this was working for EPW but you can give it a try.

If so, lets us know !

Sam

Dear Chris,

All scatterings are included by default.

Are you asking about considering only those transitions ?

If this is the case, its more difficult. You probably need to print all the transitions and then only selects the one you care about.

Best,
Samuel

Hello, You can try to uncomment !write(*,*)'epmatq(:,:,2,:,nqc)**2',SUM((REAL(REAL(epmatq(:,:,2,:,nqc))))**2)+& ! SUM((REAL(AIMAG(epmatq(:,:,2,:,nqc))))**2) inside elphon_shuffle_wrap.f90 Then also print the same elements from the variable "epmatf" in ephwann_shuffle.f90 Make sure you ...

Hello, We worked on your problem. There was a bit on an inconsistency with xk being used from two different modules (klist and pwcom). I made an internal klist_epw module with xk_loc and xk_all so that its always the same array that is used. This should prevent your problem. The commit is there m Ca...

Dear Xinbao, At this point, it would be much easier for us to help you if you are using the latest version of the code. Could you download and install v6.4.1 of QE with EPW 5.1: m And do the same printing. Also could you send us the nscf.in file. Are you sure you are putting enough digits in the nsc...

Hello,

1) download and untar q-e
2) download wannier v3 named "v3.0.0.tar.gz"
3) move the file v3.0.0.tar.gz into QE/archive
4) Move all to your cluster
5) ./configure
6) make epw



PS: Start from scratch or do a "make distclean" before doing all the steps

Best,
Samuel

The phonon lifetime is by definition an integral over all electronic states (k,bands).

Also note that you need to dope your system otherwise the lifetime will be 0.

Best wishes,
Samuel

Hello,

Your input looks ok to me.
Are you sure you are plotting the data correctly ?

At the end of EPW, you should get a file name "phband.freq"
You can convert this file with plotband.x from QE/bin/ into a gnuplot format.

Best wishes,
Samuel

Dear Gautam Sharma,

It depend on the q-point you are looking at the the mode. Some mode have very strong electron-phonon coupling and some do not.

I guess phonon linewidths value for 3D semiconductors ranges from ~0 meV to ~5 meV.

Best wishes,
Samuel

Dear joshie, If by example you refer to the q-e/test-suite/epw_mob* examples, those are used for CI testing and are absolutely not converged. You need much denser grids. Regarding the Wannierization, having larger frozen window puts more constrain on the Wannierzation making it more difficult for th...