vasp 5.4.4 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex MareNostrum4 2022-05-16T10:29:46.000 25.0 25.0 25.0 90.0 90.0 90.0 192.17119999999994 0 1 450 0.1E-04 -.2E-01 2 0.1500 0.0 82.0000 -1.0000 0 0.03 T 4 PE 8 0 false F 0.0000 2 PAW_PBE H 15Jun2001|PAW_PBE C 08Apr2002 H C 1.00 12.01 1.00 4.00 18 16 K-POINTS 0 Gamma 1 1 1 0 0 0 1 1 -21.2850 -21.0749 -20.0654 -19.0223 -18.2854 -18.1770 -17.9514 -17.3923 -15.7516 -15.1502 -14.7401 -14.5883 -13.9849 -13.6330 -12.4767 -12.3799 -11.5514 -11.0686 -10.9751 -10.7957 -10.6162 -10.3936 -10.1793 -9.9967 -9.9459 -9.8648 -9.2409 -9.0496 -8.8728 -8.7214 -8.4292 -8.3427 -8.1713 -7.9088 -7.7017 -7.6328 -7.5113 -6.2061 -6.1061 -5.9816 -5.8532 -1.1678 -1.1034 -1.0621 -1.0121 -0.5060 -0.2363 -0.2189 -0.1374 0.0896 0.1102 0.1944 0.2748 0.3199 0.3374 0.3397 0.3483 0.3792 0.3871 0.4257 0.4612 0.4882 0.4972 0.5110 0.5860 0.6029 0.6125 0.6322 0.6418 0.6535 0.6669 0.6781 0.7013 0.7124 0.7467 0.7985 0.8504 0.8639 0.9091 0.9202 0.9654 0.9869 1.0102 1.0259 1.0296 1.0639 1.0857 1.0923 1.0995 1.1312 1.1536 1.1772 1.1948 1.2120 1.2432 1.3076 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.009884 -0.002065 -0.008339 -0.001559 -0.044676 -0.001399 -0.004466 -0.014365 -0.010781 0.011000 0.036070 -0.002658 -0.012237 0.003936 0.001060 0.010263 0.005168 0.005324 0.001813 -0.001918 -0.003154 -0.010492 -0.002914 -0.000229 0.004253 0.004069 -0.011981 0.017843 0.008171 0.005175 0.005652 -0.005828 0.002071 -0.001274 0.001931 -0.006037 -0.002140 0.019334 0.014969 0.005123 -0.011617 0.009605 0.022384 0.004639 -0.019938 0.007563 0.031702 0.008654 -0.020558 0.028421 0.026211 -0.009857 0.006632 -0.000837 0.040245 0.032884 0.024366 0.009852 -0.009028 -0.007118 0.026843 -0.037269 0.028599 -0.023285 -0.004080 -0.022878 -0.006854 -0.011524 -0.001910 0.006042 0.027772 -0.003524 0.034396 0.027867 0.004317 -0.016362 -0.019881 0.014010 -0.019737 -0.013431 0.011997 -0.022987 0.016100 0.002484 -0.006778 -0.012194 -0.062984 0.005471 -0.013909 0.010431 -0.000276 0.020418 -0.021274 -0.025490 -0.026544 0.026345 -0.014969 -0.048566 -0.008446 0.000463 0.004695 -0.002132 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 -211.59859686 -211.59859686 -211.59859686 -5.6707 0.4736370E-04 25.0 25.0 25.0 90.0 90.0 90.0 192.17119999999994