- memset(&v,0,sizeof(t_3dvec));
- r.y=0;
- r.z=0;
- r.x=0.23*sqrt(3.0)*LC_SI/2.0;
- add_atom(&md,SI,M_SI,0,ATOM_ATTR_2BP,&r,&v);
- r.x=-r.x;
- add_atom(&md,SI,M_SI,0,ATOM_ATTR_2BP,&r,&v);
+ //memset(&v,0,sizeof(t_3dvec));
+ //r.y=0;
+ //r.z=0;
+ //r.x=0.23*sqrt(3.0)*LC_SI/2.0;
+ //add_atom(&md,SI,M_SI,0,ATOM_ATTR_2BP,&r,&v);
+ //r.x=-r.x;
+ //add_atom(&md,SI,M_SI,0,ATOM_ATTR_2BP,&r,&v);
+ create_lattice(&md,DIAMOND,LC_SI,SI,M_SI,ATOM_ATTR_2BP,0,10,10,10);