git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7703 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
@ -1647,8 +1647,8 @@ derivative w.r.t. e_i, it follows that C_ij is also symmetric, with at
|
||||
most 7*6/2 = 21 distinct elements.
|
||||
|
||||
At zero temperature, it is easy to estimate these derivatives by
|
||||
deforming the cell in one of the six directions using the command
|
||||
"displace_box"_displace_box.html and measuring the change in the
|
||||
deforming the simulation box in one of the six directions using the
|
||||
"change_box"_change_box.html command and measuring the change in the
|
||||
stress tensor. A general-purpose script that does this is given in the
|
||||
examples/elastic directory described in "this
|
||||
section"_Section_example.html.
|
||||
|
||||
Reference in New Issue
Block a user