Dear all,
I want to calculate the mechanical properties for graphene. It looks like we can find the mechanical properties of graphite such as Young's modulus, Poissons ratio in the .gout file. However, for a 2D structure such as graphene, I don't find mechanical properties in the output file. GULP module doesn't provide these results?
My other questions is that, in the introduction sheet of GULP: http://accelrys.com/products/datasheets/gulp.pdf, it looks like GULP can perform lots of structure analysis. However, I read through the tutorial of GULP, and also did some simple test, I think GULP in Materials Studio has very limited functions.
Did I miss anything, or I didn't use GULP in the right way? Any suggestion would be appreciated!
Regards,
Jingjing
I want to calculate the mechanical properties for graphene. It looks like we can find the mechanical properties of graphite such as Young's modulus, Poissons ratio in the .gout file. However, for a 2D structure such as graphene, I don't find mechanical properties in the output file. GULP module doesn't provide these results?
My other questions is that, in the introduction sheet of GULP: http://accelrys.com/products/datasheets/gulp.pdf, it looks like GULP can perform lots of structure analysis. However, I read through the tutorial of GULP, and also did some simple test, I think GULP in Materials Studio has very limited functions.
Did I miss anything, or I didn't use GULP in the right way? Any suggestion would be appreciated!
Regards,
Jingjing
