Search found 13 matches

by guodonglin
Wed Feb 12, 2025 2:46 am
Forum: General discussion
Topic: Discrepancy between input and output Electronic Density
Replies: 5
Views: 49827

Re: Discrepancy between input and output Electronic Density

You could check whether the parameter fsthick is large enough.
by guodonglin
Fri Dec 13, 2024 2:40 am
Forum: General discussion
Topic: How to obtain the scattering rate of Intervalley and Intravalley by EPW5.9
Replies: 0
Views: 6329

How to obtain the scattering rate of Intervalley and Intravalley by EPW5.9

Dear Developer,

I can see many paper report the scattering rate for Intervalley and Intravalley using the EPW code, but i do not know how to obain it through

EPW, could you tell me how to revised the code, thank you very much.


Regards

Donglin Guo
by guodonglin
Fri Dec 06, 2024 6:53 am
Forum: General discussion
Topic: Can electronic thermal conductivity and Seebeck coefficient be calculated by EPW code in the future
Replies: 1
Views: 5422

Can electronic thermal conductivity and Seebeck coefficient be calculated by EPW code in the future

Dear Developer, Can electronic thermal conductivity and Seebeck coefficient be calculated by EPW code in the future. Although the BoltzTraP code can do, the energy calculated by EPW and other DFT code is different. As a result, the electrical transport properties calculated by EPW are not consistent ...
by guodonglin
Fri Oct 25, 2024 11:54 pm
Forum: General discussion
Topic: How to produce the K point of the full Brillouin zone of the hexagonal structure
Replies: 1
Views: 8723

How to produce the K point of the full Brillouin zone of the hexagonal structure

Dear all,

How to produce the K point of the full Brillouin zone of the hexagonal structure.

Donglin Guo
by guodonglin
Tue Oct 08, 2024 7:56 am
Forum: Compilation
Topic: EPW 5.9 is not compatible with the latest wannier
Replies: 1
Views: 81264

EPW 5.9 is not compatible with the latest wannier

I want to use the PAO projection in wannier, but i find the EPW 5.9 is not compatible with the latest wannier.
by guodonglin
Sat Oct 05, 2024 2:14 am
Forum: General discussion
Topic: I can not obtain the n/p-type transport of graphene at 1E15 cm-2
Replies: 2
Views: 12256

I can not obtain the n/p-type transport of graphene at 1E15 cm-2

Dear Developer For n/p-type transport of graphene, i set "ncarrier = -1E15" or "ncarrier = 1E15" in epw.in file, but the final concentration is about 1E13 cm-2. This problem has puzzled me for a long time. I don 't know how to solve this problem. -- &inputepw prefix = 'graphene' amass(1) = 12.01078 ...
by guodonglin
Fri Aug 23, 2024 4:28 am
Forum: General discussion
Topic: confused about the output of mobility _ nuq.fmt file
Replies: 0
Views: 11588

confused about the output of mobility _ nuq.fmt file

Dear develper I am very confused about the output of mobility _ nuq.fmt file. According to the equation mu ( alpha, beta ) = 1.0 / ( sum _ { nu q } T _ { nu q } ( alpha, beta ) ), when ( alpha, beta ) is ( 1,1 ), I sum all the results of nu and q, and the result is 3.07 * 10 ^ ( 12 ). According to ...
by guodonglin
Tue Feb 27, 2024 9:45 am
Forum: General discussion
Topic: How to do the self-energy (bandgap renormalization) using Wannier function perturbation theory
Replies: 0
Views: 22691

How to do the self-energy (bandgap renormalization) using Wannier function perturbation theory

EPW v5.8
New features in EPW v.5.8 (12/2023):

Real part of the electron self-energy (bandgap renormalization) using Wannier function perturbation theory

i want to know how to do it , could you tell me, thank you very much.
by guodonglin
Thu Jan 04, 2024 2:03 pm
Forum: General discussion
Topic: How to solve teh problem " Error in routine prtmob (1): The carrier density is 0"
Replies: 1
Views: 50113

How to solve teh problem " Error in routine prtmob (1): The carrier density is 0"

I use the "dipole_sp" to calculate the transport of graphene, but i see the problem in epw2.out, i do not know how to solve it. =============== Temp Fermi Elec density Population SR Drift Elec mobility [K] [eV] [cm^-2] [e per cell] [cm^2/Vs ...
by guodonglin
Sun Jun 04, 2023 8:09 am
Forum: General discussion
Topic: dielectric tensors in phonon calculation using the QE
Replies: 1
Views: 23752

dielectric tensors in phonon calculation using the QE

Hello everyone, Using the QE, i obtain the dielectric tensors by ph.x, i want to know, Is this dielectric constant a high frequency dielectric constant or a static dielectric constant? thank you very much. <EPSILON type="real" size="9" columns="3"> 1.040587278179623E+002 7.105427357601002E-015 -7.105 ...