Index

Local Command Index

A B C D E F

G

getatoms
原子配置をxyzファイルに書き出す
To write the atomic arrangement into the file with xyz format.
getdos
状態密度をテキストファイルに書き出す
To write the total density of states into the file with text format.
getdensity
量子数もしくはエネルギー範囲で指定した電子の存在確率密度をcube形式で出力
To write the probability density into the file with Gaussian cube format.
gettotaldensity
電子の全存在確率密度(電荷密度)をcube形式で出力
To write the charge density into the file with Gaussian cube format.
getwfs
波動関数をcube形式で出力
To write the wave function into the file with Gaussian cube format.

H I J K L

M

makevestafile
原子配置やcube形式ファイルをVESTA用に出力
To write various information for the application, VESTA.

N O P Q R S T U V W X Y Z

script/index.txt · 最終更新: 2009/05/25 17:13 by kimi
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