<html><head></head><body><div style="color:#000; background-color:#fff; font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;font-size:16px"><div id="yui_3_16_0_ym19_1_1464934619666_2873"><font face="bookman old style, new york, times, serif" size="2">Dear QE users,</font></div><div dir="ltr" id="yui_3_16_0_ym19_1_1464934619666_2891"><font id="yui_3_16_0_ym19_1_1464934619666_3340" face="bookman old style, new york, times, serif" size="2">I am relaxing monoclinic TiS3 but I got an error after 5 steps says: problems computing cholesky<br id="yui_3_16_0_ym19_1_1464934619666_2936">I included the input below, please any suggestions: <br></font></div><div id="yui_3_16_0_ym19_1_1464934619666_2948" dir="ltr"><font id="yui_3_16_0_ym19_1_1464934619666_3315" face="bookman old style, new york, times, serif" size="2"> &control<br id="yui_3_16_0_ym19_1_1464934619666_3081"> calculation = 'vc-relax'<br id="yui_3_16_0_ym19_1_1464934619666_3082"> restart_mode = 'from_scratch'<br id="yui_3_16_0_ym19_1_1464934619666_3083"> pseudo_dir = './'<br id="yui_3_16_0_ym19_1_1464934619666_3084"> outdir = './'<br id="yui_3_16_0_ym19_1_1464934619666_3085"><br id="yui_3_16_0_ym19_1_1464934619666_3086"> /<br id="yui_3_16_0_ym19_1_1464934619666_3087"> &system<br id="yui_3_16_0_ym19_1_1464934619666_3088"> ibrav= 12,<br id="yui_3_16_0_ym19_1_1464934619666_3089"> celldm(1) = 9.41273,<br id="yui_3_16_0_ym19_1_1464934619666_3090"> celldm(2) = 0.681,<br id="yui_3_16_0_ym19_1_1464934619666_3091"> celldm(3) = 1.7888,<br id="yui_3_16_0_ym19_1_1464934619666_3092"> celldm(4) = 0,<br id="yui_3_16_0_ym19_1_1464934619666_3093"> vdw_corr='dft-D'<br id="yui_3_16_0_ym19_1_1464934619666_3094"> nat=8<br id="yui_3_16_0_ym19_1_1464934619666_3095"> ntyp=2<br id="yui_3_16_0_ym19_1_1464934619666_3096"> ecutwfc=60 <br id="yui_3_16_0_ym19_1_1464934619666_3097"> ecutrho=600<br id="yui_3_16_0_ym19_1_1464934619666_3098"> occupations = 'fixed'<br id="yui_3_16_0_ym19_1_1464934619666_3099"> degauss=0.00<br id="yui_3_16_0_ym19_1_1464934619666_3100"> /<br id="yui_3_16_0_ym19_1_1464934619666_3101"> &electrons<br id="yui_3_16_0_ym19_1_1464934619666_3102"> conv_thr = 1e-8,<br id="yui_3_16_0_ym19_1_1464934619666_3103"> mixing_beta=0.1,<br id="yui_3_16_0_ym19_1_1464934619666_3104"> electron_maxstep=200<br id="yui_3_16_0_ym19_1_1464934619666_3105"> /<br id="yui_3_16_0_ym19_1_1464934619666_3106">&IONS<br id="yui_3_16_0_ym19_1_1464934619666_3107"> /<br id="yui_3_16_0_ym19_1_1464934619666_3108">&CELL<br id="yui_3_16_0_ym19_1_1464934619666_3109"> /<br id="yui_3_16_0_ym19_1_1464934619666_3110"><br id="yui_3_16_0_ym19_1_1464934619666_3111">ATOMIC_SPECIES<br id="yui_3_16_0_ym19_1_1464934619666_3112"> Ti 47.867 Ti.pw91-sp-van_ak.UPF<br id="yui_3_16_0_ym19_1_1464934619666_3113"> S 32.065 S.pw91-van_ak.UPF<br id="yui_3_16_0_ym19_1_1464934619666_3114"> <br id="yui_3_16_0_ym19_1_1464934619666_3115">ATOMIC_POSITIONS {crystal}<br id="yui_3_16_0_ym19_1_1464934619666_3116"> S 0.250000 0.104252 0.199565 <br id="yui_3_16_0_ym19_1_1464934619666_3117"> S 0.750000 0.895748 0.800435 <br id="yui_3_16_0_ym19_1_1464934619666_3118"> S 0.750000 0.758849 0.453327 <br id="yui_3_16_0_ym19_1_1464934619666_3119"> S 0.250000 0.241151 0.546673 <br id="yui_3_16_0_ym19_1_1464934619666_3120"> S 0.750000 0.489814 0.800644 <br id="yui_3_16_0_ym19_1_1464934619666_3121"> S 0.250000 0.510186 0.199356 <br id="yui_3_16_0_ym19_1_1464934619666_3122"> Ti 0.250000 0.722972 0.641355 <br id="yui_3_16_0_ym19_1_1464934619666_3123"> Ti 0.750000 0.277028 0.358645 <br id="yui_3_16_0_ym19_1_1464934619666_3124">K_POINTS {automatic}<br id="yui_3_16_0_ym19_1_1464934619666_3125"> 7 7 7 0 0 0<br id="yui_3_16_0_ym19_1_1464934619666_3126"><br id="yui_3_16_0_ym19_1_1464934619666_3127"><br id="yui_3_16_0_ym19_1_1464934619666_3128">-------------------</font></div><div id="yui_3_16_0_ym19_1_1464934619666_3417" dir="ltr"><font id="yui_3_16_0_ym19_1_1464934619666_3315" face="bookman old style, new york, times, serif" size="2">Jaret Q.</font></div><div id="yui_3_16_0_ym19_1_1464934619666_3422" dir="ltr"><font id="yui_3_16_0_ym19_1_1464934619666_3315" face="bookman old style, new york, times, serif" size="2">ASU<br id="yui_3_16_0_ym19_1_1464934619666_3131"><br id="yui_3_16_0_ym19_1_1464934619666_3132"><br id="yui_3_16_0_ym19_1_1464934619666_3133"><br id="yui_3_16_0_ym19_1_1464934619666_3134"><br></font></div></div></body></html>