Hi Zara, You can check out the following paper for the same simulation with SIESTA:
Interplay between geometrical structure and electronic properties in rippled free-standing graphene. Physical Review B, 83(16), 165434 (2011). Best, Pouya ----- Original Message ----- From: "ZARA NBSH" <[email protected]> To: [email protected] Sent: Tuesday, May 17, 2016 9:34:57 AM Subject: [SIESTA-L] Simulating graphene ripples using siesta MD Dear all, I would like to simulate the graphene ripples using molecular dynamics. Can I use MD package of siesta to do that? Best regards, Zara
