Dear Nick, I appreciate for your suggestions. I still get confused as you said that i am not calculating minimal Ag unit cell. What does it mean ? Since i took Ag-FCC structure as unit cell. Also, How could i get vertical lines and its label like K, L, M ... as high symmetric points in Band structure plot. sincerely, Dinesh
On Thu, Jun 21, 2018 at 3:14 PM, Nick Papior <[email protected]> wrote: > In seems you need to do multiple things differently : > 1) too low mesh cutoff > 2) you need to sample the brilloun zone sufficiently > 3) you are not calculating the minimal Ag unit cell > > The first two you need to converge sufficiently. Check the manual for > details. > > > -- > > Kind regards Nick Papior > > > On Thu, 21 Jun 2018, 22:00 Dinesh Thapa, <[email protected]> wrote: > >> I tried to Plot band structure for Silver (Ag) using SIESTA But i am not >> getting good plot as that of VASP. Also, i could not get vertical lines on >> the particular high symmetric points. I tried to ayttach my input.fdf and >> JPEG of Band structure. Any body;s help in this is highly appreciated. >> >> with regards >> Dinesh >> >
