Re: [Wien] Kpoint unit in the wien2k band structure

Dear Govin and Oleg, Thank for your reply. The k path will be still in 2pi/bohr if I used ang (for lattice parameter) as an input. *With Best Regards, * *Aamir Shafique* On Tue, Dec 24, 2019 at 8:37 PM Oleg Rubel wrote: > I would recommend using the file 'case.spaghetti_ene'. It lo

[Wien] Kpoint unit in the wien2k band structure

Hello, Hope you are well. I want to calculate the effective mass at high symmetry point but I am unable to find the Kpoint unit in band structure whether it is 1/bohr or 1/ang. *With Best Regards, * *Aamir Shafique

[Wien] wien2k error during initialization

from rounding errors of positions), apply x patchsymm -> continue with lstart or edit the 01.struct_st file (c/e/x) Can you give some suggestion? I have the struct file to this email. *With Best Regards, * *Aamir Shafique* *---

[Wien] (no subject)

est Regards, * *Aamir Shafique* *-* *Postdoctoral fellow* *Physical Sciences and Engineering* *+* *King Abdullah University of Science and Technology * Thuwal 23955, Saudia Arabia. (* Direct* - +966 54 5351602 * *Em