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[ilahi asma]

Hello all,I'm studing The LiF(001) fcc structure. I try to stabilize my system but my problem is always when I run a job to calculate the K-point {(441),(661),(881)} convergence, this  calcul does  not converge.In the scf output, I always found this sentence "convergence NOT achived after 100 iterations : stoping"can you help me ???
Best regards.

 ********************************************************
 Ilahi Asma ,
 phone number:
 216 95 604 127
 Phd.student,
 UR "Physical Properties of Heterostructures ",
 PhysicsDepartment,Faculty of Sciences Tunis,
 Campus University, 2092 Manar, Tunis,Tunisia.
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