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Writing the code for (1,1,1) surface for any crystal
Date: 2014/11/22 19:22
hello everyone I am trying to simlate theband structure for a crystal with plane (1,1,1).I am new to openmx please tell me how to write the code for the same?
Re: Writing the code for (1,1,1) surface for any crystal
( No.1 )
Date: 2014/11/23 08:29
Please prepare a slab model with (111) surface, and follow the manual on how an input file
should be prepared for OpenMX.