Hi all, I have been performing some calculations for graphene-like materials using the trunk-462 version, and I have been obtaining some warnings at the beginning of some SCF cycles:
Note: For starting DM, Qtot, Tr[D*S] = 10.00000000 10.09624902 These warnings disappear as the structure is closer to being relaxed. Is it cause to worry about some parameter in my calculation? Best regards, Marcos
