The ABINIT Users Mailing List ( CLOSED )

[jiangx3@rpi.edu]

Hi everybody,

Thank you for the answer for the last question about the optimization of
the structure. Last time I ask how to optimize the bond length and now I
want to ask how to optimize bond anlges. I have a hydrogen molecule and a 
graphene sheet(you can think it just as a sheet). When the hydrogen
molecule is put above the sheet, it will have different distances and
also different angles (the hydrogen molecule is a line now )with the
sheet. So how to I optimize it?  It seems so difficult for me. Could
anyone teach me about this? Thank you very much!

Best regards,
Xueping  Jiang