2D WSe2 e-p coupling

General discussion around the EPW software

Moderator: hlee

sahildani
Posts: 12
Joined: Fri Feb 19, 2021 11:48 am
Affiliation: IIT Ropar

Re: 2D WSe2 e-p coupling

Post by sahildani »

Dear weihua-xiao

How you get the cartesian coordinates in the "epw.in" input file.
Can you suggest to me how to get it?

hlee
Posts: 294
Joined: Thu Aug 03, 2017 12:24 pm
Affiliation: The University of Texas at Austin

Re: 2D WSe2 e-p coupling

Post by hlee »

Dear sahildani:

Starting from EPW v5.3, we don't need to specify the list of q points (in Cartesian units) in epw.in; please check the Releases page at https://docs.epw-code.org/doc/Releases.html .

If there is a reason for the use of previous versions of EPW, you can check ph.out (please find the line of " Dynamical matrices for ( x, x, x) uniform grid of q-points") or prefix.dyn0.

Sincerely,

H. Lee

sahildani
Posts: 12
Joined: Fri Feb 19, 2021 11:48 am
Affiliation: IIT Ropar

Re: 2D WSe2 e-p coupling

Post by sahildani »

Hello Dear,

I have one basic question. Can you tell me for EPW calculation, what is the minimum specification of PC is required to do calculation.
Because, I have i7 & 7th generation. But if I do the MgB2 calculation in our system it hangs after some time.
Is it very heavy calculation?

Thanks & Regards
Sahil Dani

hlee
Posts: 294
Joined: Thu Aug 03, 2017 12:24 pm
Affiliation: The University of Texas at Austin

Re: 2D WSe2 e-p coupling

Post by hlee »

Dear sahildani:

First, I would like to ask you to post the new thread next time instead of replying to the thread which is not related to your question.
I have one basic question. Can you tell me for EPW calculation, what is the minimum specification of PC is required to do calculation.
Because, I have i7 & 7th generation. But if I do the MgB2 calculation in our system it hangs after some time.
Is it very heavy calculation?
It depends on the materials you are considering and it also depends on the computational parameters.
For MgB2 in EPW/examples, I usually use the 24 cores; it can be done using lesser cores, but it is not a good choice to use one or two cores.

Sincerelyl,

H. Lee

Post Reply