Search found 3 matches
- Fri May 21, 2010 10:23 am
- Forum: Response calculations
- Topic: About phonon and eigenvector
- Replies: 4
- Views: 4935
Re: About phonon and eigenvector
Dear Prof. Ilyes Hamdi, I study the tutorespfn lesson 2,and abinit forum. But I still have some questions. The tutorespfn lesson 2 has many q points, but in my job only gamma, Can I only ues the input eivec and ars to run? It's seems not ok. What input variables I need to add? I can't understand the...
- Fri May 21, 2010 6:00 am
- Forum: Response calculations
- Topic: About phonon and eigenvector
- Replies: 4
- Views: 4935
Re: About phonon and eigenvector
Dear Prof. Ilyes Hamdi,
Thank you for the suggestions.
I will try again.
Thanks very much.
Fang.
Thank you for the suggestions.
I will try again.
Thanks very much.
Fang.
- Thu May 20, 2010 12:07 pm
- Forum: Response calculations
- Topic: About phonon and eigenvector
- Replies: 4
- Views: 4935
About phonon and eigenvector
Dear Abiniters, Hi,I have two questions. (1). I try to calculate phonon frequencies at gamma point of the hexagonal phase of GaSe. And this is my input(a part): rfphon 1 rfdir 1 1 1 nqpt 1 kptopt 2 tolvrs 1.0d-8 ngkpt 6 6 2 nshiftk 1 iscf 5 ixc 11 diemac 12 nband 30 ecut 30 nstep 300 But I got the n...