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frequency dependent IMAGINARY DIELECTRIC FUNCTION (RPA, no local field effects) E(ev) X Y Z XY YZ ZX -------------------------------------------------------------------------------------- 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.076875 2.454391 2.454391 2.454391 0.000000 0.000000 0.000000 0.153749 5.502298 5.502298 5.502298 0.000000 0.000000 0.000000 0.230624 10.204572 10.204572 10.204572 0.000000 0.000000 0.000000 0.307499 18.145106 18.145106 18.145106 0.000000 0.000000 0.000000 0.384373 29.610221 29.610221 29.610221 0.000000 0.000000 0.000000 0.461248 43.065525 43.065525 43.065525 0.000000 0.000000 0.000000 0.538123 56.846884 56.846884 56.846884 0.000000 0.000000 0.000000 0.614998 69.187069 69.187069 69.187069 0.000000 0.000000 0.000000 0.691872 78.730018 78.730018 78.730018 0.000000 0.000000 0.000000 0.768747 84.905275 84.905275 84.905275 0.000000 0.000000 0.000000 0.845622 87.765418 87.765418 87.765418 0.000000 0.000000 0.000000 0.922496 88.048023 88.048023 88.048023 0.000000 0.000000 0.000000 0.999371 87.243286 87.243286 87.243286 0.000000 0.000000 0.000000 1.076246 86.605012 86.605012 86.605012 0.000000 0.000000 0.000000 1.153120 86.500094 86.500094 86.500094 0.000000 0.000000 0.000000 ÇëÎʽéµçº¯ÊýµÄE£¨eV£©£¬X ,Y,Z·Ö±ð´ú±íʲô£¬Õâ¸öEÊǸöʲôÁ¿ |
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