Dear all,
Could anyone help to illustrate the difference between the DOS got from Dmol3 and reports ( VASP)?
Is there something need to pay more attention when calculate the DOS by dmol3?
Best regards
Water
Could anyone help to illustrate the difference between the DOS got from Dmol3 and reports ( VASP)?
Is there something need to pay more attention when calculate the DOS by dmol3?
Best regards
Water