I believe this to be a bug with Avogadro
Avogadro version: 1.2.0
Operating system and version: Windows 10
I’m a new, unexperienced Avogadro user and I’ve run into a problem I can’t yet figure out a solution for.
I wanted to build an extended periclase-type surface where some of the Mg atoms are substituted by Fe atoms (MgFeO). Therefore, I first loaded the MgO crystal structure from Avogadro’s own library, then I substituted one Mg atom manually and then tried to build an extended surface using the “slab” command.
Irrespective of the Miller indices, the surface size or the type of surface I try to generate, the button “Build” turns to “Working” after pressing it, but the program first becomes unresponsive and then either crashes or stays unresponsive for a very long period of time (without actually generating the surface).
File > Import > Crystal > type in “periclase” > select “MgO-periclase.cif” > insert > substitute one Mg atom with a Fe one using the “Draw” tool > Crystallography > Build > Slab > select Miller indices (I tried with 0,0,1 and then 1,0,0) > x = 10 A, y = 10 A, z = 40A > Build
Any kind of suggestion on how I can overcome this problem would be greatly appreciated!