Re: [Wien] The K-vectors in Angstorm inverse

Dear Prof. Blaha, Thank you very much for your kind reply. I am not receiving the wien2k mailing list emails, for few months. How could I solve this issue. Thanks again. With kind regards, Monodeep. On Mon, 30 Jul 2018 at 17:27, Monodeep Chakraborty wrote: > Dear Prof. Blaha and wien2k

Re: [Wien] The K-vectors in Angstorm inverse

After x spaghetti, case.energy contains the k-vectors in carthesian coordinates and its length (inverse Bohr). Am 30.07.2018 um 13:57 schrieb Monodeep Chakraborty: Dear Prof. Blaha and wien2k users, I have a question regarding the value of  k-vectors used in

[Wien] The K-vectors in Angstorm inverse

Dear Prof. Blaha and wien2k users, I have a question regarding the value of k-vectors used in wien2k band structure calculation. I have a Trigonal Unit cell which has a space group 156. The unit cell is given in a=b not equal c (in Hexagonal form). Now, when I do the