[Wien] Reg: Calculation of McMillan-Hopfield parameter

2016-06-21 Thread Peram sreenivasa reddy
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

[Wien] DFTD3 h-BN testing

2016-06-21 Thread Tristan de Boer
Hi, I've installed DFTD3 and am attempting to make sure it's installed correctly, so I've been attempting to reproduce slide 20 of F. Tran's 2015 WIEN2k workshop. Are the cells in this slide held to a constant volume as the interlayer distance is changed, or is the unit cell volume changing

Re: [Wien] Basic information

2016-06-21 Thread Laurence Marks
What you have changed will almost certainly not help. What are the RMTs, the case.struct file and other parameters. Without this information it will be very hard to help you. --- Professor Laurence Marks "Research is to see what everybody else has seen, and to think what nobody else has thought",