We read every piece of feedback, and take your input very seriously.
To see all available qualifiers, see our documentation.
1 parent b723270 commit d456648Copy full SHA for d456648
crystal2pyscf.py
@@ -93,7 +93,7 @@ def crystal2pyscf_cell(
93
94
cell=pyscf.pbc.gto.Cell()
95
cell.build(atom=atom,a=crylat_parm['latvecs'],unit='bohr',
96
- mesh=mesh,basis=basis,ecp='bfd')
+ mesh=mesh,basis=basis,ecp='bfd',verbose=1)
97
98
# Get kpoints that PySCF expects.
99
# TODO only Gamma for now.
0 commit comments