Dear siesta users and developers:
I have found it is much slower to use siesta to optimize the geometry using
more than one core than using only one core!
So I wonder why?
And another question is if I want to optimize a isolated molecular,does the
volume of the cell affect the time used to complete the optimization,since the
cell makes the system is molecular?
Can DM.UseSaveDM T,MD.UseSaveZM T,MD.UseSaveCG T make a whole
continue start from previous run,if I use %block Zmatrix as the geometry input
in the input.fdf?
Is that enought?
Guangping Zhang