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jx在路上金蟲 (著名寫手)
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[求助]
請問這句話是什么意思 random initialization beyond band 193 已有1人參與
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| 請問這句話是什么意思 random initialization beyond band 193 |
金蟲 (著名寫手)
專家顧問 (著名寫手)
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金蟲 (著名寫手)
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??????ò?????лл????????????????????????????HSE???糣?????????????????????????棬?????δ????????????? jpchou?????---------------------------------------------------------------------------- | | | W W AA RRRRR N N II N N GGGG !!! | | W W A A R R NN N II NN N G G !!! | | W W A A R R N N N II N N N G !!! | | W WW W AAAAAA RRRRR N N N II N N N G GGG ! | | WW WW A A R R N NN II N NN G G | | W W A A R R N N II N N GGGG !!! | | | | The number of bands has been changed from the values supplied | | in the INCAR file. This is a result of running the parallel version. | | The orbitals not found in the WAVECAR file will be initialized with | | random numbers, which is usually adequate. For correlated | | calculations, however, you should redo the groundstate calculation. | | I found NBANDS = 90 now NBANDS = 92 | | | ----------------------------------------------------------------------------- |
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