how to choose the direction of the transferred momenta?

[gaohan]

Dear developers,
When I calculate the eels using tddft, we know that the transferred momenta can be choosen by "QpntsRXd" parameter. But the chosen momenta are as follows,

Code: Select all

 K/Q-points units:
 rlu = crystal or reduced units; cc = cartesian coordinates; iku = interal k-units

 Q [  1]:  0.000000  0.000000  0.000000 [rlu]
 Q [  2]: -0.018868 -0.033333  0.000000 [rlu]
 Q [  3]:  0.000000 -0.033333  0.000000 [rlu]
 Q [  4]: -0.018868  0.000000  0.000000 [rlu]
 Q [  5]: -0.018868 -0.066667  0.000000 [rlu]
 Q [  6]:  0.000000 -0.066667  0.000000 [rlu]
 Q [  7]: -0.018868 -0.100000  0.000000 [rlu]
 Q [  8]:  0.000000 -0.100000  0.000000 [rlu]
 Q [  9]: -0.018868 -0.133333  0.000000 [rlu]
 Q [ 10]:  0.000000 -0.133333  0.000000 [rlu]
 Q [ 11]: -0.018868 -0.166667  0.000000 [rlu]
 Q [ 12]:  0.000000 -0.166667  0.000000 [rlu]
 Q [ 13]: -0.018868 -0.200000  0.000000 [rlu]
 Q [ 14]:  0.000000 -0.200000  0.000000 [rlu]
 Q [ 15]: -0.018868 -0.233333  0.000000 [rlu]
 Q [ 16]:  0.000000 -0.233333  0.000000 [rlu]
 Q [ 17]: -0.018868 -0.266667  0.000000 [rlu]
 Q [ 18]:  0.000000 -0.266667  0.000000 [rlu]
 .......

But if I want the momenta just along the b2 direction, such as 0.000000 0.000000 0.000000 ; 0.000000 -0.033333 0.000000; 0.000000 -0.066667 0.000000 ;0.000000 -0.100000 0.000000.....
What can I do to achieve that?
Looking forward to your reply.

[gaohan]

Dear Developers,
I just find out the solution. Thank you!

[Daniele Varsano]

Dear Han Gao,
great you solved!

Best,
Daniele