I am calculating the collisions for a 2D material, but the calculation lasted a very long time.
The out file remains unchanged for more than 3 days.
The end of out file is shown:
Code: Select all
[WR./2D_WR_WC//ndb.COLLISIONS_HXC_header]---------------------------------------
Brillouin Zone Q/K grids (IBZ/BZ) : 112 112 112 112
RL vectors : 37831 [WF]
COLLISIONS name : HARTREE+SEX
Total number of COLLISIONS : 19152
COLLISIONS kind : 1327
Bands : 25 42
Bands mixing : 100.0000
CV only scattering : no
Collisions Cutoff : 0.000000
Hartree RL vectors : 13391
Exchange RL vectors : 13391
- S/N 006038 ---------------------------------------------- v.05.01.00 r.21422 -
So, is it reasonable? Is there any way to speed up this calculation?
My input and output files are attached.
Thanks in advance.