Search found 13 matches
- 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.
- 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
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
- 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 ...
- 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
How to produce the K point of the full Brillouin zone of the hexagonal structure.
Donglin Guo
- 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.
- 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 ...
- 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 ...
- 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.
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.
- 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 ...
- 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 ...