Re: [Wien] STM

2018-12-06 Thread Peter Blaha
STM simulations make only sense for a surface. You cannot make STM for a bulk ??? 3ddens does not include tip vibrations, but is very fast and conveniently lets you choose the best hight above the surface to reproduce experimental images. Be careful with the STM mode of lapw5 in cases with a

Re: [Wien] STM

2018-12-06 Thread Laurence Marks
I have no idea how good/bad 3ddens is for STM. I know lapw5 works and agrees fairly well with experiment for insulators if you use reasonable values for the tip vibrations. (Ignoring tip vibrations leads to images with too high resolution.) On Thu, Dec 6, 2018, 20:33 Lawal Mohammed wrote: > Dear

[Wien] STM

2018-12-06 Thread Lawal Mohammed
Dear Developers and Users, I need some advice on using the 3ddens program. My interest is to simulate STM image of a 3D system to compare with our experimental results. My questions are: Whether it's possible for 3D system.What determine the size of the grid points?Do I have to edit any file i