Re: [Wien] Reg: Calculation of McMillan-Hopfield parameter

wien2k has no module to calculate directly the electron-phonon matrix elements and average them over the FS. You have to use the RMTA. And also for the RMTA there is no "package", you need to know how you calculate it based on some output of wien2k. But since I do not remember what exactly is

Re: [Wien] Reg: Calculation of McMillan-Hopfield parameter

Dear Blaha sir, Thank you very much for your replay. Here the problem comes in the calculation of , square of the electron-phonon matrix averaged over the Fermi surface. Here my questions are: 1. To get alone value do we need to use the rigid muffin-tin approximation(RMTA)? 2. Is

Re: [Wien] Reg: Calculation of McMillan-Hopfield parameter

No, it is not "printed". But all the required quantities can be derived from a band structure calculation and the rigid-muffin-tin approx. On 06/22/2016 05:53 AM, Peram sreenivasa reddy wrote: Dear WIEN2k, Is it possible to calculate McMillan-Hopfield parameter directly with WIEN2k, which

[Wien] Reg: Calculation of McMillan-Hopfield parameter

Dear WIEN2k, Is it possible to calculate McMillan-Hopfield parameter directly with WIEN2k, which is used to calculate electron-phonon coupling of a particular superconducting material as given in PHYSICAL REVIEW B 74, 184519 (2006). I searched in the user guide. But there is no use. Thanking