> > waring of too close atom ,,here is my fdf file plz help me out >
clearly you have defined your atoms to be close to each other. Check with the xcrysden and any other visualization software. Further, how many formula units of CrC6 are there in your hexagonal cell ? Also, it's better if you paste your input file rather than attaching it. hope it helps. regards, sonu IITD
