Dear siesta users and developers, I am trying to learn how to calculate phonon spectrum using siesta. The manual describes only one method, based on finite displacement of atoms, known as "frozen phonon" approximation.
However, there are few published papers that use more advanced technique, density-functional perturbation theory (DFPT), where dynamical matrices are calculated directly from derivatives of the density matrix [see Phys. Rev. B 65, 075210 (2002); Solid State Commun. 128, 181 (2003)]. Is the DFPT method of calulating phonon spectrum implemented in new version of Siesta? Ruslan Zhachuk <https://www.avast.com/sig-email?utm_medium=email&utm_source=link&utm_campaign=sig-email&utm_content=webmail&utm_term=icon> Virus-free. www.avast.com <https://www.avast.com/sig-email?utm_medium=email&utm_source=link&utm_campaign=sig-email&utm_content=webmail&utm_term=link> <#DAB4FAD8-2DD7-40BB-A1B8-4E2AA1F9FDF2>
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