I'm facing problems in Material Studio 4.4 version regarding geometry optimization. After 1 step iterations don't converge & ultimately after reaching max no of iterations run fails. I tried increasing no of iteration to 1000 too but invain. Till date i've tried every possibility it says (like smearing on/off, spin etc.). Then I tried to optimized that particular structure which I had earlier optimized using version 3.2. To my surprize it failed to converge. I've compared their outmol files but not able to find any major difference. Infact I tried using BASFILE 4.4 but again it failed. Please let me know if there is any such problem in version 4.4 or if I'm doing anything wrong. Thanks. Kindly reply asap.