I believe this to be a bug with Avogadro
Environment Information
Avogadro version: 1.2.0
Operating system and version: Windows 10
Expected Behavior
Hi,
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.
Actual Behavior
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).
Steps to Reproduce
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!
Thank you,
Tudor