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[求助]
VASP刚入门
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WARNING: If single coordinates had been selected the selection of coordinates 请教一下，OUTCAR文件报错，如何处理？ |
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2楼2015-04-13 18:43:39
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surface_001 1.0 7.3007998466 0.0000000000 0.0000000000 0.0000000000 7.5388998985 0.0000000000 0.0000000000 0.0000000000 22.8008995056 8 28 Selective dynamic Cartesian 1.618295316 1.992908166 2.227419898 F F F 5.206492482 1.621542029 5.573451972 T T T 1.615959043 5.762358115 1.728992156 F F F 5.208828864 5.390991753 6.071879374 T T T 1.542367018 2.034975288 6.048850450 T T T 5.282493887 1.579474907 1.752021081 F F F 1.572227262 5.804425237 5.596252917 T T T 5.252633535 5.348925081 2.204618953 F F F 7.090828727 2.124311247 1.658309360 F F F 7.034831699 1.490138947 6.142562340 T T T 3.444298260 5.893761197 2.298330673 F F F 3.380562319 5.259589121 5.502541027 T T T 7.095939264 5.256648552 1.678830177 F F F 7.029648054 5.896701316 6.122041523 T T T 3.439114833 1.487198828 2.277581877 F F F 3.385672857 2.127251367 5.523289823 T T T 1.889447000 3.774350149 2.273249599 F F F 4.935413797 7.378999720 5.527622101 T T T 1.344880357 0.004900285 1.683162456 F F F 5.479980221 3.609549771 6.117709584 T T T 1.210472653 3.771636054 5.675599760 T T T 5.614315037 7.381713815 2.125271770 F F F 1.904121519 0.002186281 5.969731246 T T T 4.920739278 3.612263866 1.831368263 F F F 1.957636385 2.131247018 0.112180430 F F F 1.837903416 2.131247018 7.800871870 T T T 4.986957380 1.483203177 0.000000000 F F F 4.867224412 1.483203177 7.688691312 T T T 1.276690864 5.900696967 3.844231497 F F F 5.548170041 5.252652901 3.956640033 T T T 1.961870942 5.448513938 0.010032396 F F F 1.842137756 5.448513938 7.698495423 T T T 4.982722823 5.704836380 0.102376043 F F F 4.862989855 5.704836380 7.791067079 F F F 1.272456415 1.679063764 3.946607604 F F F 5.552404163 1.935386431 3.854263927 F F F |
3楼2015-04-14 09:58:43
4楼2015-04-17 08:36:43
