IBTE for a metal

[Vahid]

Dear EPW users,

I have calculated the el-ph matrix elements for a metal with EPW-5.4.1 and have restarted to calculate the scattering rates and the IBTE. The following tags are set:

Code: Select all

 
  elph        = .true.
  epbwrite    = .false.
  epbread     = .false.
  epwwrite    =  .false.
  epwread     =  .true.
  wannierize  = .false.

  scattering      = .true.
  scattering_serta = .true.
  iterative_bte   = .true.

  efermi_read = .true. 
  fermi_energy = 2.8

I would like to use IBTE to find the mobility at the given Fermi energy.

The EPW run ends with the following lines:

Code: Select all

      Progression iq (fine) =        900/       999
      300.000      0.0000       0.966545E-08
      
     epmatkqread automatically changed to .TRUE. as all scattering have been computed.

No scattering rates is printed and the output shows no mobility values.

Does IBTE work for metals in EPW?

Thank you,
Vahid

Vahid Askarpour
Department of Physics and Atmospheric Science
Dalhousie University
Halifax, Canada

[Shashi]

Hi Vahid,

IBTE works for metals in EPW. To enable it, please make sure to include the tag assume_metal = .true. in your EPW input file.

Let me know if you have any questions.

Best regards,
Shashi