Dear everyone:
I want to get a structure without strain,follow the maillist I have done
twice structual optimizations with cell variable in the second one (full
opt).
Here I've left MD.TargetPressure defualt(0.0GPa).But after the second
optimization is
completed,I've found the cell kept no changed.Then I check the OUTPUT file
and found
cgvc: No target stress found.
Two questions left:
1.Does the MD.TargetPressure (and MD.TargetStress) option determine whether
the cell
is variable when we have set MD.VariableCell True ?
2.I was told that when I want to get a structure with small strain I should
set MD.TargetPressure (and MD.TargetStress) from the OUTPUT file in the
first structual opt.
But when I want to get a structure without strain ,how to set this option?
Left it default or
just as the case with small strain?
Thanks in advance.
Dexi Shao
