vme and dme confusion
Posted: Tue Jun 02, 2026 9:01 pm
Dear Experts,
reading the source of bloch2wannier it seems like vmedata.fmt stores the position (r_nm) matrix elements and dmedata.fmt stores the velocity (v_nm) matrix elements. If so, I think the names should be switched, as the current naming convention is extremely misleading. Furthermore the comments in the subroutine dmebloch2wan where the contents of dmedata.fmt are computed, mention that the object being computed is "p^(W)(R) in PRB 74, 195118 (2006) notations", however this object does not appear anywhere in the paper.
I would like to understand which objects are really written to vmedata and dmedata.
Thanks for your help!
reading the source of bloch2wannier it seems like vmedata.fmt stores the position (r_nm) matrix elements and dmedata.fmt stores the velocity (v_nm) matrix elements. If so, I think the names should be switched, as the current naming convention is extremely misleading. Furthermore the comments in the subroutine dmebloch2wan where the contents of dmedata.fmt are computed, mention that the object being computed is "p^(W)(R) in PRB 74, 195118 (2006) notations", however this object does not appear anywhere in the paper.
I would like to understand which objects are really written to vmedata and dmedata.
Thanks for your help!