-- Warning! xyz file is broken, not enough lines
Only these primitive vectors were found in xyz :
[[ 10.547 0. 0. ]
[ 0. 6.448 0. ]]
I take rest from *rprimd*
-- Warning! rprimd gives negative volume, I exchange vectors 2 and 3
Final rprimd =
[[ 10.547 0. 0. ]
[ 0. 0. -11. ]
[ 0. 6.448 0. ]]
-- check_kpoints(): Kpoint mesh is: [3, 3, 5]
-- check_kpoints(): The actual k-spacings are [ 0.2 0.19 0.19]
-- Attention! ngkpt = [3, 3, 5] is adopted from struct_des which you provided for it Li2CoPO4F and kspacing = 0.235
Calculation ('Li2CoPO4F', 'static', 1) successfully created