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zhlhhc鐵蟲 (小有名氣)
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[求助]
怎樣計(jì)算波函數(shù)的宇稱? 已有1人參與
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| 對(duì)于有空間反演對(duì)稱性的體系,怎樣計(jì)算波函數(shù)的宇稱呢?是否可以用“http://www.andrew.cmu.edu/user/feenstra/wavetrans/”輸出波函數(shù)進(jìn)而計(jì)算宇稱呢? |
專家顧問 (著名寫手)
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專家經(jīng)驗(yàn): +20 |
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????f???]?н??? ?@????A???????????????W·??]????w???? ??? ?k?? ????]???????f "???N??"????~ ??????V??????????????????l?? 1. ??????????W????????????@???????? wave function ?@?|??????| 2. ???????????@???????? wavetrans ?????????????????? 3. ??? DFT ????????????@????????????? wavetrans ?r???????????????? https://almulla.files.wordpress. ... tions-from-vasp.pdf ?@?e????W·?Y?????????c????Щ???? ?????c???????D |
鐵蟲 (小有名氣)
木蟲 (著名寫手)
專家顧問 (著名寫手)
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專家經(jīng)驗(yàn): +20 |
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WaveTrans ???????? binary WAVECAR ?D?Q?? ASCII file (?????g) ???????? WAVECAR "??" ???? (??^ vesta ?? XCrysDen ?@????w) ??? ???????????????????n ???????Q?? ?@??]????}?? WaveTrans ????? ASCII file ???Y????????????? ?????????????????D??????Д?????Q?? |
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