playground:playground
差分
このページの2つのバージョン間の差分を表示します。
両方とも前のリビジョン前のリビジョン次のリビジョン | 前のリビジョン次のリビジョン両方とも次のリビジョン | ||
playground:playground [2018/04/25 10:42] – kimi | playground:playground [2022/08/23 09:17] – [PlayGround] kimi | ||
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行 1: | 行 1: | ||
====== PlayGround ====== | ====== PlayGround ====== | ||
+ | |||
+ | |||
+ | * [[storage: | ||
+ | * [[private_pages|Kimi' | ||
+ | <jmol al-al110.pdb.gz 512 256></ | ||
+ | |||
+ | apple | ||
+ | apricot | ||
+ | avocado | ||
+ | banana | ||
+ | blackberry | ||
+ | blueberry | ||
+ | breadfruit | ||
+ | cherry | ||
+ | citron | ||
+ | cranberry | ||
+ | dragonfruit | ||
+ | durian | ||
+ | grape | ||
+ | grapefruit | ||
+ | guava | ||
+ | huckleberry | ||
+ | kiwifruit | ||
+ | lemon | ||
+ | lime | ||
+ | lychee | ||
+ | mango | ||
+ | mangosteen | ||
+ | melon | ||
+ | mulberry | ||
+ | orange | ||
+ | papaya | ||
+ | peach | ||
+ | pear | ||
+ | persimmon | ||
+ | pineapple | ||
+ | plum | ||
+ | raspberry | ||
+ | strawberry | ||
+ | tangerine | ||
+ | |||
+ | < | ||
+ | |||
+ | ====== 第一見出し ====== | ||
+ | ===== 第二見出し ===== | ||
+ | ==== 第三見出し ==== | ||
+ | === 第四見出し === | ||
+ | == 第五見出し == | ||
+ | |||
+ | $$ | ||
+ | {\cal H}=\displaystyle\frac{p^2}{2m}+\frac{1}{2}m\omega^2x^2 | ||
+ | $$ | ||
+ | |||
+ | $$ | ||
+ | -\displaystyle\frac{\hbar}{i}\frac{\partial}{\partial t}\psi={\cal H}\psi | ||
+ | $$ | ||
+ | |||
+ | |||
+ | |||
+ | |a|b|c| | ||
+ | |c|c|c| | ||
+ | |d||f| | ||
+ | |||
+ | - 記号付きリスト | ||
+ | * 記号なしリスト | ||
+ | ---- | ||
+ | |||
+ | |||
+ | ; 記号付きリスト | ||
+ | : 記号なしリスト | ||
+ | |||
+ | : A | ||
+ | ; B | ||
+ | : C | ||
+ | |||
+ | **太字** | ||
+ | //斜体// | ||
+ | __下線__ | ||
+ | '' | ||
+ | < | ||
+ | [[内部リンク]] | ||
+ | [[http:// | ||
+ | - 記号付きリスト | ||
+ | * 記号なしリスト | ||
+ | --- | ||
+ | |||
+ | ^_^ | ||
+ | DELETEME | ||
+ | |||
+ | |||
$x^2+y^2$ | $x^2+y^2$ | ||
行 14: | 行 104: | ||
f(x)=\int_{-\infty}^xe^{-t^2}dt | f(x)=\int_{-\infty}^xe^{-t^2}dt | ||
$$ | $$ | ||
+ | |||
+ | <code latex> | ||
+ | \definecolor{blueblack}{RGB}{0, | ||
+ | \color{blueblack} | ||
+ | \begin{picture}(4, | ||
+ | \thicklines | ||
+ | \put(2, | ||
+ | \put(.375, | ||
+ | \put(1.22, | ||
+ | \put(.6, | ||
+ | \put(3.36, | ||
+ | \dottedline{.05}(1.0, | ||
+ | \put(1.0, | ||
+ | \dottedline{.05}(1.5, | ||
+ | \put(1.5, | ||
+ | \put(1.22, | ||
+ | \dottedline{.04}(0.6, | ||
+ | \put(1.0, | ||
+ | \put(.58, | ||
+ | \put(.77, | ||
+ | \put(1.18, | ||
+ | \dottedline{.04}(1.5, | ||
+ | \put(1.5, | ||
+ | \put(2.22, | ||
+ | \put(1.95, | ||
+ | \end{picture} | ||
+ | </ | ||
<code c> | <code c> | ||
行 20: | 行 137: | ||
} | } | ||
</ | </ | ||
+ | |||
+ | <code python> | ||
+ | a0 = 文献の値 | ||
+ | # 以下の??? | ||
+ | # ????? | ||
+ | c1 = (???, ???, 0) | ||
+ | c2 = (???, ???, 0) | ||
+ | c3 = (0, 0, ?????) | ||
+ | |||
+ | from ase import Atom | ||
+ | atom1 = Atom(' | ||
+ | atom2 = Atom(' | ||
+ | |||
+ | p = [] | ||
+ | p.append(atom1) | ||
+ | p.append(atom2) | ||
+ | |||
+ | from ase import Atoms | ||
+ | box1 = Atoms(p) | ||
+ | box1.set_cell(([c1, | ||
+ | box1.set_pbc(True) | ||
+ | |||
+ | from ase.calculators.jacapo import Jacapo | ||
+ | # 全体(炭素2個分)の価電子 | ||
+ | solver1 = Jacapo(nbands = ????, kpts = (2, 2, 2), pw = 150, dw = 150) | ||
+ | |||
+ | box1.set_calculator(solver1) | ||
+ | solver1.calculate() | ||
+ | |||
+ | print box1.get_total_energy() | ||
+ | |||
+ | </ | ||
+ | |||
+ | |||
+ | {{ : |
playground/playground.txt · 最終更新: 2023/10/12 09:43 by kimi