Re: [Wien] Is it a SPAGHETTI bug?

Please send me the struct file and the 2 k-meshes (the working one and the wrong one) to my private email. On 05/15/2017 03:07 PM, Kefeng wang wrote: Dear Prof. Blaha, Thanks a lot for your reply. Yes, It is the same in ps file. I feel very confused. Best, K. Wang On Fri, May 12, 2017 at

Re: [Wien] Is it a SPAGHETTI bug?

Dear Prof. Blaha, Thanks a lot for your reply. Yes, It is the same in ps file. I feel very confused. Best, K. Wang On Fri, May 12, 2017 at 4:59 PM, Kefeng wang wrote: > Dear all, > > I am using wien 16.1 to perform the DFT calculations for RhSb3. For the > scf

Re: [Wien] Is it a SPAGHETTI bug?

Do you see the same in the ps file, or only in the agr file ? Am 12.05.2017 um 22:59 schrieb Kefeng wang: Dear all, I am using wien 16.1 to perform the DFT calculations for RhSb3. For the scf calculations, I used 3000 k points and everything goes well. However, when I plotted band structure

[Wien] Is it a SPAGHETTI bug?

Dear all, I am using wien 16.1 to perform the DFT calculations for RhSb3. For the scf calculations, I used 3000 k points and everything goes well. However, when I plotted band structure using spaghetti, the position of the vertical line corresponding to the high symmetry k points is wrong when I