Dear sir,
In my simulations with single layer Graphene sheet. I’m getting different potential energy than expected. Please let me know whether this is because of bad dynamics or different potential file used or co-ordinates of the sheet or for any other reason. I assume that my stress-strain relations are improper because of this different potential energy. Is their any relation between the stress value and potential energy of that sheet. Please help me in solving this error.
Here I’ve attached my input file and data file of graphene.
Thanks & Regards,
Venkata Pavan Kumar. Miriyala
pavan.kumar9111@…33…24…,
contact number: +91-9032307746
5*5zigdata.graphene (268 KB)
input.graphene (1.12 KB)