problem regarding symmetry and structure
Posted: Fri Jan 06, 2017 7:41 am
Hello,
I have problem regarding symmetry and structure. The system for which I am computing electronic band structure, has structure of Rhombohedral with space group 166. I have defined the parameters according to structure, but the output has no symmetry of space group rather than the symmetry is Primitive triclinic or face-center monocl. and if i got symmetry then the parameters were not according to structure.
here I have attached both the file.
Please Guide me what should i do??
I have problem regarding symmetry and structure. The system for which I am computing electronic band structure, has structure of Rhombohedral with space group 166. I have defined the parameters according to structure, but the output has no symmetry of space group rather than the symmetry is Primitive triclinic or face-center monocl. and if i got symmetry then the parameters were not according to structure.
here I have attached both the file.
Please Guide me what should i do??