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| 【獎(jiǎng)勵(lì)】 本帖被評(píng)價(jià)19次,作者valenhou001增加金幣 15.2 個(gè) | |||||||||||||
valenhou001至尊木蟲(chóng) (職業(yè)作家)
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[資源]
ATK&VNL使用教程的視頻
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在優(yōu)酷上有ATK&VNL使用教程的視頻,并附有中文字幕。通過(guò)看視頻可能會(huì)更快學(xué)會(huì)VNL的操作,包括建模(two-probe system, 碳納米管、MoS2納米管、分子、界面體系等)、計(jì)算流程、分析計(jì)算結(jié)果等等。 http://i.youku.com/QuantumWiseTV 1. Build a MoS2 nanotube http://v.youku.com/v_show/id_XNTQwMTAzMDA0.html 2. Build Carbon Nanotube Junctions http://v.youku.com/v_show/id_XNTQwMTA1NDY4.html 3. Build a Graphene-Nickel Interface http://v.youku.com/v_show/id_XNTQwMTA2NDI0.html 4. Build a Capped Carbon Nanotube http://v.youku.com/v_show/id_XNTQwMTA1ODQw.html 5. How to build rotated graphene layers in ATK http://v.youku.com/v_show/id_XNTQwMTA2NzY0.html 6. Build a Pentacene Molecule http://v.youku.com/v_show/id_XNTQwMTA0ODI0.html 7. Build a gold-dtb-gold device http://v.youku.com/v_show/id_XNTQwMTAyNjA0.html 8. Calculate the band structure of a bulk crystal http://v.youku.com/v_show/id_XNTQwMTA0NzI4.html 9. Electronic Transport Through A Distorted Nanoribbon http://v.youku.com/v_show/id_XNTQwMTA3MjY4.html 10. Build a Carbon Nanotube with a Stone-Wales defect http://v.youku.com/v_show/id_XNTQwMTAxODky.html 11. Build a Graphene Sheet with a Hole http://v.youku.com/v_show/id_XNTQwMTAxMDU2.html 12. ATK Software Demonstration http://v.youku.com/v_show/id_XNTQwMTAwMjU2.html 13. Basic Builder Tips1-Importing and Exporting Files http://v.youku.com/v_show/id_XNTQwMTA0MDYw.html |
first principle | ATK和電子輸運(yùn) | @個(gè)人收集@ | Photochemistry |
值得收藏 | 材料模擬基礎(chǔ)書(shū)籍 | atk&transiesta | 第一性原理 |
第一性學(xué)習(xí) | 有用 | 材料學(xué)基礎(chǔ) |
木蟲(chóng) (正式寫(xiě)手)
木蟲(chóng) (正式寫(xiě)手)
木蟲(chóng) (著名寫(xiě)手)
鐵桿木蟲(chóng) (著名寫(xiě)手)
木蟲(chóng) (小有名氣)
金蟲(chóng) (小有名氣)
金蟲(chóng) (正式寫(xiě)手)
木蟲(chóng) (小有名氣)
木蟲(chóng) (著名寫(xiě)手)
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In ATK, how the 'gate' voltages translate into orbital energies. Take the voltage of each 'gate' and apply that uniformly to the atoms of the molecule? If this is the case then the result is not physical, since each gate will contribute to the energy shift on all atoms nearly identically (since the capacitance between each gate and atom is nearly identical). Would you please help me solve the problem ? |
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