I'm trying to generate the phononic band structure of graphene using GULP. The unit cell has two atoms. Is there anyone who can help me to select the correct k-path co-ordinates (gamma -> M -> K -> gamma) for graphene?
Thanks.
see the following attached file
Thanks so much.
Fatal error in MPI_Allreduce: Other MPI error, error stack: MPI_Allreduce(1628)......: MPI_Allreduce(sbuf=000002459254A180, rbuf=000002459F86A140, count=4851, MPI_DOUBLE_COMPLEX, MPI_SUM,...
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