next up previous contents
Next: 27 Which is the Up: Tutorial for the Thermo_pw Previous: 25 How do I   Contents

26 How do I calculate the frequency dependent dielectric constant of a material?

Use what='scf_ph'. See example16 and example20. Please note that this calculation is made by the extended version of the phonon code available in thermo_pw, so you have to provide specific flags to the phonon input. See the user's guide for details. The dielectric constant is in the file output_epsilon.ps. Note that for metals you need to specify a finite wave-vector q and you cannot plot the dielectric constant when q is the $ \Gamma$ point. See example17 and example21 for this case.



2019-04-16