<div dir="ltr">Hi,<div><br></div><div>I'm new user of cp2k, I've gone through the input of cp2k, but didn't understand following</div><div>1)  how to define the simulation box size  &CELL</div><div>                                                                 A          .................</div><div>                                                                 B          .................</div><div>                                                                 C          .................</div><div>2)  what are the     </div><div>                          &BS</div><div>                          &ALPHA</div><div>                              NEL</div><div>                              L</div><div>                              N .... and beta follows..</div><div><br></div><div>How these values are defined and what they represents in the input.. please tell me for Cu(II) </div></div>