X-Git-Url: https://hackdaworld.org/gitweb/?p=lectures%2Flatex.git;a=blobdiff_plain;f=posic%2Fpublications%2Fsic_prec_reply02.txt;h=72aa128123c30f73564a9cbb69c0e64128c1ec5a;hp=2aea833054cd904a35cea2a0e9897289d52d7a68;hb=94afb95da60b2cdbcd5c328661715eda4416de19;hpb=fdf1f976b879c9b7403c1d76c9906aa850614862 diff --git a/posic/publications/sic_prec_reply02.txt b/posic/publications/sic_prec_reply02.txt index 2aea833..72aa128 100644 --- a/posic/publications/sic_prec_reply02.txt +++ b/posic/publications/sic_prec_reply02.txt @@ -105,7 +105,7 @@ smaller supercells of 64 atomic sites. Thus, convergence of the formation energies of single defects with respect to the size of the supercell is assumed. -A repsective statement was added (Change 3). +A respective statement was added (Change 3). > They appear to be separating defects by as large a distance as > can be accommodated in the supercell to approximate the isolated @@ -156,7 +156,7 @@ A respective statement was added to the methodology section > authors aware of them? Have they used one of them? The constrained relaxation technique is used to determine migration -pathways. The method is named and a reference is given in the +pathways. The method is specified and a reference is now given in the methodology section. The method not necessarily unveils the lowest energy migration path. The supposed saddle point structure needs to be attested by investigating the vibrational modes. However, reasonable @@ -197,8 +197,7 @@ manuscript. > in the method do not introduce further uncertainties, and I would > need a bit more convincing that the results are actually valid. -We hope to be able to convince by responding to the following -statement of the referee. +See below for hopefully convincing arguments. > The authors' circumvention of this is to do the simulations at > much heightened temperatures. However, this only gives a good @@ -210,7 +209,7 @@ statement of the referee. > this case. There is not necessarily a correlation of the cohesive and migration -energies. You can always add a constant to the cohesive energies of +energies. One can always add a constant to the cohesive energies of respective structures. It is the difference in the cohesive energies of structures within the migration path, which determines the migration barrier.