[Pw_forum] Will "asr=simple", will work for Gamma point only.
Peram sreenivasa reddy
peramsreenivas at gmail.com
Thu Oct 3 14:40:56 CEST 2013
Dear pw_forum,
I have a question.
Will "asr=simple", will work for Gamma point only. i.e at 0 0 0 dynamical
matrices.
If i use the asr.in file to execute case.dyn2 or case.dyn3 nothing was
writing in asr.out file.
If i use it for case.dyn1 which was related to (0 0 0) dynamical matrix,
than only asr.out file consisting with modes and there frequencies.
My system have 4 atoms which will get 12 modes.
If it is like this I am getting mode frequencies like this below.
mode cm-1 THz
1 0.00 0.00
2 0.00 0.00
3 0.00 0.00
4 161.75 4.8492
5 161.75 4.8492
6 161.75 4.8492
7 209.56 6.2826
8 209.56 6.2826
9 209.56 6.2826
10 342.04 10.2542
11 342.04 10.2542
12 342.04 10.2542
In this each three modes are having same frequencies.
How can i get mode frequencies for another dynamical matrices.
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