ABINIT Discussion Forums

Hi ljludwig, Thanks for your reply. In the output, the generated k-grids are different. In t66.out, only 2 dimensions of k-grids are variable (the third dimension of kptrlatt is always 0 0 1, the third dimension of shiftk is always 0 ), whereas in t70.out, all 3 dimensions of kptrlatt are variable. ...

Dear All, I am looking at the generation of lists of k-point sets in the lesson 3 of the tutorial (abinit-6.12.3). In abinit_home/tests/v2/t66.in, the Mg is bi-dimensional, whereas in 70.in, it is 3D. But these two inputs are almost the same. Please kindly let me know why it is bi-dimensional in t66...