The unit of text written velocity file in vasp.6.5

[jiong_yang1]

Dear all,

It is nice that electrical transport is supported in vasp.6.5, and I have velocity text file printed by changing elphin%write_textvel=.true. in elphon_base.F.

1. What is the unit of the electron group velocity in the "velocity" file?

2. Is there an INCAR tag which control the text print of the velocity file?

Many thanks.

[andreas.singraber]

Hello!

Thank you for your kind words, I will forward them to the developers!

1. The units in the "velocity" file are "eV Ang" (read "eV times angstrom").
2. Yes, there is an INCAR tag

   Code: Select all

   ELPH_WRITE_TEXTVEL = .TRUE./.FALSE.
   

   which switches exactly the boolean variable you set manually in the source code.

I am sorry that this is not yet in our Wiki, we will update this as soon as possible (we cannot do this right now because of technical issues with the Wiki).

All the best,
Andreas Singraber