Re: [Wien] creating a slab

11:51 a. m. Para: A Mailing list for WIEN2k users Asunto: Re: [Wien] creating a slab Dear Prof.. Gavin Abo Thank you for your valuable advice. I will try this. Prasad On Wednesday, August 1, 2018, 10:41:44 p.m. CST, Gavin Abo wrote: Yes, or at least as far as I currently can tell, I

Re: [Wien] creating a slab

Dear Prof.. Gavin Abo Thank you for your valuable advice. I will try this. Prasad On Wednesday, August 1, 2018, 10:41:44 p.m. CST, Gavin Abo wrote: Yes, or at least as far as I currently can tell, I believe support for CYZ lattices has not been implemented for "x supercell". I

Re: [Wien] creating a slab

Yes, or at least as far as I currently can tell, I believe support for CYZ lattices has not been implemented for "x supercell". I haven't tried it, but my guess is that happens for example with any space group 38_Amm2 structures (generated by sgroup):

[Wien] creating a slab

Dear Wien2k developers and users I need to create a slab of a lattice type CYZ (orthorombic) material of 11 atoms for work function calculation. It has 3 layers in the unit cell. I tried to follow the steps in the exercise sheet of last workshop.