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Questions related from Guilherme Maia Santos
Hi, I'm study about band structure... and I read this: "We have noted that diffraction occurs when one end of a wave vector touches a Bragg plane. In the context of nearly free electrons,...
21 August 2015 295 3 View
My doubt is about sites occupation. In my compound there are 4 different sites, they are: Fe1 and Fe2 (occupied more by Iron) and Al1 and Al2 (occupied more by Alluminio). To do the simulation...
20 October 2014 3,165 7 View
When finishing the refinement, in the file.out two values appear for the "N-sigma of the GoF". Is the last one is the real one? And one more doubt, is lower better? Thanks!
20 May 2014 4,927 2 View
I am a beginner in the Siesta software, and I'm having doubts about the atoms that I put on the input file. The material that I'm studying it's AlFeO3. This compound has an orthorhombic symmetry...
22 October 2013 8,148 3 View
