UT theoretical chemistry code forum

Dear all, My system is La2O3 doped with Ce. The ACF.dat results are: # X Y Z CHARGE MIN DIST ATOMIC VOL -------------------------------------------------------------------------------- 1 1.1342 1.9645 0.7810 8.9141 1.2269 23.3043 2 1.1341 5.9133 0.7801 8.9114 1.2340 23.2495 3 4.5540 3.9388 0.7801 8....