EPW Forum

Dear hlee Sir,

Thanks for your reply.

I will check. But I am little confused about how to calculate the superconductivity in 2d materials.
People have done that earlier for example CoO2 also for KGe2.

How they do that.

Dear Lee Sir, Sorry for the inconvenience. Actually I am not able to fill the form of the EPW 2021 school. But I am very keen to register and learn the EPW code or also the quantum espresso. Can you suggest me what we do. I will pay the fee immediately, and also send the CV of mine. Please write to ...

Hi
Thanks for reply. I am checked the save directory as you said. I think all the files are in save directory also patterns files are also there.

Dear all, I am facing problem for calculation of Resistivity of 2d TiSe2 material. Here I am attaching the scf.in and also the epw.in file for reference. &CONTROL calculation = 'scf' etot_conv_thr = 1.0000000000d-06 forc_conv_thr = 1.0000000000d-05 outdir = './' prefix = 'TiSe2' pseudo_dir = '../pp/...

Dear Sir, There is one problem regarding plot of resistivity plot for "Pb" I am using the resistivity.py script that Ponce sir given in our tutorial, By using this I am calculate the resistivity graph but does not able to produce the end result because may be error in the python script. Could you pl...

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 & Rega...

Hello Sir,

Also, is there is any constraint on the forces that is should be very low otherwise frequencies always negative.
If yes what is the minimum of that because I got around 0.005 or less?

Dear hlee SIr

I am stuck in one problem. I am calculating the phonon calculation of 2d material after relaxation the structure. I got the negative frequencies. How to resolve this type of errors?

Dear hpaudya1

Thanks for your kind reply, It's really helpful for me.

Can you suggest how to calculate the epw calculation for the 2d materials? Like 2D TMDs etc.

Thanks with Regards
Sahil Dani

Dear weihua-xiao

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