md.count=create_lattice(DIAMOND,SI,M_SI,LC_SI,a,b,c,&(md.atom));
printf("created silicon lattice (#atoms = %d)\n",md.count);
#else
md.count=create_lattice(DIAMOND,SI,M_SI,LC_SI,a,b,c,&(md.atom));
printf("created silicon lattice (#atoms = %d)\n",md.count);
#else
- md.atom[2].r.x=0.5*(a-1)*LC_SI;
- md.atom[2].r.y=0.5*(b-1)*LC_SI;
- md.atom[2].r.z=0;
- md.atom[2].element=C;
- md.atom[2].mass=M_C;
+ //md.atom[2].r.x=0.5*(a-1)*LC_SI;
+ //md.atom[2].r.y=0.5*(b-1)*LC_SI;
+ //md.atom[2].r.z=0;
+ //md.atom[2].element=C;
+ //md.atom[2].mass=M_C;