Dear User Please help me that how to solve this problem SELECT ENERGY to separate core and valence states: recommended: -6.0 Ry (check how much core charge leaks out of MT-sphere) ALTERNATIVELY: specify charge localization (between 0.97 and 1.0) to select core state -10.0 LSTART ENDS 0.268u 0.024s 0:05.21 5.3% 0+0k 8+3528io 0pf+0w ERROR !!! nstop,iter,tets,test 28 1 9.999999939225290E-009 nstop,iter,tets,test 28 1 9.999999939225290E-009 nstop,iter,tets,test 28 1 9.999999939225290E-009 nstop,iter,tets,test 28 1 9.999999939225290E-009 You have to change your atomic configuration in Case.inst -----> continue with kgen or edit the Ca2Ga3MgN5.inst file and rerun lstart (c/e) with best regards sikander
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