Search found 12 matches

by sahildani
Thu Jun 03, 2021 9:35 am
Forum: Running the code
Topic: Problem for calculation of TiSe2
Replies: 6
Views: 776

Re: Problem for calculation of TiSe2

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.
by sahildani
Mon May 31, 2021 11:23 am
Forum: General discussion
Topic: 2021 Virtual School on Electron-Phonon Physics and the EPW code
Replies: 4
Views: 1315

Re: 2021 Virtual School on Electron-Phonon Physics and the EPW code

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 ...
by sahildani
Mon May 31, 2021 7:16 am
Forum: Running the code
Topic: Problem for calculation of TiSe2
Replies: 6
Views: 776

Re: Problem for calculation of TiSe2

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.
by sahildani
Sun May 30, 2021 6:40 am
Forum: Running the code
Topic: Problem for calculation of TiSe2
Replies: 6
Views: 776

Problem for calculation of TiSe2

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/...
by sahildani
Tue May 11, 2021 6:23 am
Forum: General discussion
Topic: Need a help regarding EPW calculation!!
Replies: 10
Views: 1521

Re: Need a help regarding EPW calculation!!

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...
by sahildani
Mon May 10, 2021 9:45 am
Forum: General discussion
Topic: 2D WSe2 e-p coupling
Replies: 13
Views: 3091

Re: 2D WSe2 e-p coupling

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...
by sahildani
Sun Apr 18, 2021 4:44 pm
Forum: General discussion
Topic: Need a help regarding EPW calculation!!
Replies: 10
Views: 1521

Re: Need a help regarding EPW calculation!!

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?
by sahildani
Sun Apr 18, 2021 3:39 pm
Forum: General discussion
Topic: Need a help regarding EPW calculation!!
Replies: 10
Views: 1521

Re: Need a help regarding EPW calculation!!

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?
by sahildani
Sun Apr 18, 2021 5:44 am
Forum: General discussion
Topic: Need a help regarding EPW calculation!!
Replies: 10
Views: 1521

Re: Need a help regarding EPW calculation!!

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
by sahildani
Mon Apr 05, 2021 3:03 pm
Forum: General discussion
Topic: 2D WSe2 e-p coupling
Replies: 13
Views: 3091

Re: 2D WSe2 e-p coupling

Dear weihua-xiao

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