<html><head></head><body><div style="color:#000; background-color:#fff; font-family:Courier New, courier, monaco, monospace, sans-serif;font-size:16px"><div class="" id="yiv6956982955yui_3_16_0_1_1451901481753_15455">Hello all,</div><div class="" dir="ltr" id="yiv6956982955yui_3_16_0_1_1451901481753_15454">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"</div><div class="" id="yiv6956982955yui_3_16_0_1_1451901481753_15733" dir="ltr">can you help me ???</div><div class="" id="yiv6956982955yui_3_16_0_1_1451901481753_15737" dir="ltr"><br class="" id="yui_3_16_0_1_1451984923547_5525"></div><div class="" id="yiv6956982955yui_3_16_0_1_1451901481753_15654" dir="ltr">Best regards.</div><div class="" id="yiv6956982955yui_3_16_0_1_1451901481753_15714" dir="ltr"><br class="" id="yui_3_16_0_1_1451984923547_5529"></div><div class="" id="yiv6956982955yui_3_16_0_1_1451901481753_15717" dir="ltr"><br class="" id="yiv6956982955yui_3_16_0_1_1451901481753_15697"> ********************************************************<br class="" id="yiv6956982955yui_3_16_0_1_1451901481753_15699"> Ilahi Asma ,<br class="" id="yiv6956982955yui_3_16_0_1_1451901481753_15701"> phone number:<br class="" id="yiv6956982955yui_3_16_0_1_1451901481753_15703"> 216 95 604 127<br class="" id="yiv6956982955yui_3_16_0_1_1451901481753_15705"> Phd.student,<br class="" id="yiv6956982955yui_3_16_0_1_1451901481753_15707"> UR "Physical Properties of Heterostructures ",<br class="" id="yiv6956982955yui_3_16_0_1_1451901481753_15709"> PhysicsDepartment,Faculty of Sciences Tunis,<br class="" id="yiv6956982955yui_3_16_0_1_1451901481753_15711"> Campus University, 2092 Manar, Tunis,Tunisia.<br class="" id="yiv6956982955yui_3_16_0_1_1451901481753_15713"> --------------------------------------------</div><div class="" id="yiv6956982955yui_3_16_0_1_1451901481753_15687" dir="ltr"><div dir="ltr"><br class="" id="yui_3_16_0_1_1451984923547_5542"></div></div></div></body></html>