Re: [Wien] Fwd: C2/m (#SG 12) space group structure

2015-04-13 Thread Peter Blaha
No, you can forget about this message. It is just some internal information and should remind you that you have a monoclinic structure. Am 13.04.2015 um 16:29 schrieb Daniel Menendez: The unit cell positions were generated correctly applying your suggestion. When I execute x symmetry the output

[Wien] Fwd: C2/m (#SG 12) space group structure

2015-04-13 Thread Daniel Menendez
The unit cell positions were generated correctly applying your suggestion. When I execute x symmetry the output message says: gamma not equal 90 alpha(3) .gt. 91.0; reset to 90.1 but the struct file has gamma=169.6. Should I bother about this message? Thank you so much,