Dear all,
In the vasprun file, when one performs a BSE calculation there is the opticaltransitions section.
The first colomn corresponds to the energy. I was wondering what is the dimension of the second one ? It should be oscillator strength, a dimensionless variable. However, if it was so, the values should all be between 0 and 1.
Can you give more insights into the units and values written in the <opticaltransitions> section of the vasprun file ?
Best,
Camille
unit opticaltransitions
Moderators: Global Moderator, Moderator
-
admin
- Administrator
- Posts: 2921
- Joined: Tue Aug 03, 2004 8:18 am
- License Nr.: 458
Re: unit opticaltransitions
The second entry is dimensionless. However vasp multiplies the column with a factor of 1000 for better visibility of small transitions in vasprun.xml.