diff --git a/examples/ELASTIC_T/in.elastic b/examples/ELASTIC_T/in.elastic index 8427192a8206e54f0fd1ba7216cc46c99c144d60..7d180f811426af485636f97c328fa1c979facc2a 100644 --- a/examples/ELASTIC_T/in.elastic +++ b/examples/ELASTIC_T/in.elastic @@ -1,5 +1,12 @@ # Compute elastic constant tensor for a crystal at finite temperature # +# WARNING: This script attempts to measure small differences in +# statistical averages generated by finite temperature MD simulations. +# This creates many more opportunities for errors to occur, compared +# to the zero temperature version provided in examples/ELASTIC. +# Hence, it is always a good idea to start with the zero temperature +# calculation, before attempting to use this script. +# # Written by Aidan Thompson (Sandia, athomps@sandia.gov) # # This script uses the following three include files.