Dear Dr. Samuel,
Thank you for your swift answer, I will follow the steps indicated by you, as soon as I have some results I will post again.
Best wishes,
Wellery.
Search found 5 matches
- Sun Jul 22, 2018 12:48 am
- Forum: Running the code
- Topic: B-doped diamond example
- Replies: 9
- Views: 10006
- Fri Jul 20, 2018 12:54 am
- Forum: Running the code
- Topic: B-doped diamond example
- Replies: 9
- Views: 10006
Re: B-doped diamond example
Dear EPW users, For this example I'm trying to reproduce Figure 8 (c) from Giustino et al, Phys. Rev. B 76, 165108 (2007). However, when I plot : ibnd jbnd imode 4 4 6 For all q-points in the fine grid, the curve is quite different. I'm using exacly the same parameters as in the original input files ...
- Tue Apr 24, 2018 12:05 am
- Forum: General discussion
- Topic: Graphene
- Replies: 3
- Views: 4787
Re: Graphene
Dear EPW users, I managed to build the input files for a EPW calculation for graphene. However, I'm not so sure about the vertex of the E-P matrix. So, I would like to ask you to check on my algorithm to obain these reulsts. 1st - scf calculation for graphene using a 30x30x1 Monkhorst-Pack-like grid ...
- Sun Apr 15, 2018 7:50 pm
- Forum: General discussion
- Topic: Graphene
- Replies: 3
- Views: 4787
Re: Graphene
Dear Dr. Ponc,
Thanks for the advice ! I will follow these readings !
Best Wishes,
Wellery.
Thanks for the advice ! I will follow these readings !
Best Wishes,
Wellery.
- Sat Apr 14, 2018 6:00 am
- Forum: General discussion
- Topic: Graphene
- Replies: 3
- Views: 4787
Graphene
Dear EPW users,
I'm a very freshman using EPW, does anybody would share the input files needed for a proper calculation usig EPW for graphene? whether someone could share with me some notes about getting started with EPW I would be very thankful.
Best wishes,
Wellery.
I'm a very freshman using EPW, does anybody would share the input files needed for a proper calculation usig EPW for graphene? whether someone could share with me some notes about getting started with EPW I would be very thankful.
Best wishes,
Wellery.