The ABINIT Users Mailing List ( CLOSED )

[jiangx3@rpi.edu]

Hi everybody,

I want to ask how to optimize a structure in abinit? I know the value of
acell should be changed and xcart changes at the same time. I try to use
the following method, but error comes out:



ndtset   5  3

acell:     1.4000 1.4000 20.0
acell+    0.025 0.025 0.0
         -0.025 0.025 0.0
xangst:   0.0 0.0 0.0
          1.4000 0.0 0.0
xangst+   0.025 0.025 0.0
         -0.025 0.025 0.0


If anyone knows about the optimization in the abinit, would you please tell 
me?