{"id":128,"date":"2012-06-22T16:43:51","date_gmt":"2012-06-22T07:43:51","guid":{"rendered":""},"modified":"2013-10-26T06:12:59","modified_gmt":"2013-10-25T21:12:59","slug":"%e3%83%a8%e3%82%a6%e5%8c%96%e9%8a%80%e3%81%ae%e7%ac%ac%e4%b8%80%e5%8e%9f%e7%90%86%e5%88%86%e5%ad%90%e5%8b%95%e5%8a%9b%e5%ad%a6%e3%82%b7%e3%83%9f%e3%83%a5%e3%83%ac%e3%83%bc%e3%82%b7%e3%83%a7%e3%83%b3-m","status":"publish","type":"post","link":"https:\/\/www.cenav.org\/kdb\/?p=128","title":{"rendered":"\u30e8\u30a6\u5316\u9280\u306e\u7b2c\u4e00\u539f\u7406\u5206\u5b50\u52d5\u529b\u5b66\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3 MD_AgI"},"content":{"rendered":"

\u6982\u8981<\/h3>\n

\u30e8\u30a6\u5316\u9280\u306f\u3001\u6700\u3082\u5358\u7d14\u306a\u56fa\u4f53\u96fb\u89e3\u8cea\u306e\u4e00\u3064\u3067\u3042\u308b\u3002\u3053\u3053\u3067\u306f\u30e8\u30a6\u5316\u9280\u306e\u7b2c\u4e00\u539f\u7406\u5206\u5b50\u52d5\u529b\u5b66\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u3092\u884c\u3046\u3053\u3068\u306b\u3088\u3063\u3066\u3001\u56fa\u4f53\u96fb\u89e3\u8cea\u306e\u89e3\u6790\u304cPHASE\u3092\u884c\u3048\u308b\u3053\u3068\u3092\u78ba\u8a8d\u3059\u308b\u3002<\/p>\n

\u521d\u671f\u539f\u5b50\u914d\u7f6e\u306f\u3001AtomWorks\u304b\u3089\u5f97\u305fCIF\u3092\u5229\u7528\u3057\u3066\u30012×2×2\u306e\u30b9\u30fc\u30d1\u30fc\u30bb\u30eb\u3092\u4f5c\u6210\u3059\u308b\u3053\u3068\u306b\u3088\u3063\u3066\u6e96\u5099\u3057\u305f\u3002\u4ee5\u4e0b\u306e\u3088\u3046\u306a\u539f\u5b50\u914d\u7f6e\u3067\u3042\u308b\u3002<\/p>\n

\"\"<\/p>\n

\u5b9f\u884c\u74b0\u5883<\/h3>\n

CPU: Intel Xeon 5450 3 GHz<\/p>\n

GPU:<\/p>\n

Memory:<\/p>\n

HDD:<\/p>\n

\u8a73\u7d30\u8aac\u660e<\/h3>\n\n\n\n\n\t<\/colgroup>\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n\t\t\t\t\u9805\u76ee<\/th>\n\n\t\t\t\t\u8aac\u660e<\/th>\n<\/tr>\n<\/thead>\n
\n\t\t\t\t\u5229\u7528\u6a5f\u80fd<\/th>\n\n\t\t\t\t\u5b9a\u6e29\u5206\u5b50\u52d5\u529b\u5b66<\/td>\n<\/tr>\n
\n\t\t\t\t\u8a08\u7b97\u30bf\u30a4\u30d7<\/th>\n\n\t\t\t\t1\u56de\u306e\u8a08\u7b97<\/td>\n<\/tr>\n
\n\t\t\t\t\u4e26\u5217\u6570<\/th>\n\n\t\t\t\t4\u30d0\u30f3\u30c9\u4e26\u5217<\/td>\n<\/tr>\n
\n\t\t\t\t\u53c2\u7167\u8a08\u7b97\u6642\u9593<\/th>\n\n\t\t\t\t214\u79d2\/MD\u30b9\u30c6\u30c3\u30d7<\/td>\n<\/tr>\n
\n\t\t\t\t\u7cfb\u306e\u7a2e\u985e<\/th>\n\n\t\t\t\t\u56fa\u4f53\u96fb\u89e3\u8cea<\/td>\n<\/tr>\n
\n\t\t\t\t\u5468\u671f\u6027<\/th>\n\n\t\t\t\t3\u6b21\u5143<\/td>\n<\/tr>\n
\n\t\t\t\t\u7d44\u6210<\/th>\n\n\t\t\t\tAg 16\u500b I 16\u500b<\/td>\n<\/tr>\n
\n\t\t\t\t\u683c\u5b50\u5b9a\u6570<\/th>\n\n\t\t\t\ta =10.124 Å<\/td>\n<\/tr>\n
\n\t\t\t\t\u30d6\u30e9\u30d9\u30fc\u683c\u5b50<\/th>\n\n\t\t\t\t\u7acb\u65b9<\/td>\n<\/tr>\n
\n\t\t\t\t\u64ec\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u30d5\u30a1\u30a4\u30eb<\/th>\n\n\t\t\t\tI_ggapbe_us_02.pp<\/td>\n<\/tr>\n
\n\t\t\t\tAg_ggapbe_us_01.pp<\/td>\n<\/tr>\n
\n\t\t\t\t\u78c1\u6027<\/th>\n\n\t\t\t\t\u306a\u3057<\/td>\n<\/tr>\n
\n\t\t\t\t\u30ab\u30c3\u30c8\u30aa\u30d5\u30a8\u30cd\u30eb\u30ae\u30fc<\/th>\n\n\t\t\t\t16 Rydberg<\/td>\n<\/tr>\n
\n\t\t\t\tk\u70b9\u30b5\u30f3\u30d7\u30ea\u30f3\u30b0<\/th>\n\n\t\t\t\tΓ\u70b9\u306e\u307f<\/td>\n<\/tr>\n
\n\t\t\t\t\u6ce2\u52d5\u95a2\u6570\u30bd\u30eb\u30d0\u30fc<\/th>\n\n\t\t\t\tDavidson→rmm<\/td>\n<\/tr>\n
\n\t\t\t\t\u96fb\u8377\u5bc6\u5ea6\u6df7\u5408\u6cd5<\/th>\n\n\t\t\t\tbroyden2<\/td>\n<\/tr>\n
\n\t\t\t\t\u53ce\u675f\u5224\u5b9a<\/th>\n\n\t\t\t\t1e-9 1\u56de<\/td>\n<\/tr>\n
\n\t\t\t\t\u305d\u306e\u307b\u304b\u306e\u8a2d\u5b9a<\/th>\n\n\t\t\t\t\u5b9a\u6e29\u5206\u5b50\u52d5\u529b\u5b66\u306e\u8a2d\u5b9a<\/td>\n<\/tr>\n
\n\t\t\t\t\u3000\u6642\u9593\u523b\u307f 350 au<\/td>\n<\/tr>\n
\n\t\t\t\t\u3000\u30bf\u30fc\u30b2\u30c3\u30c8\u6e29\u5ea6 500K<\/td>\n<\/tr>\n
\n\t\t\t\t\u4f5c\u696d\u30c7\u30a3\u30ec\u30af\u30c8\u30ea\u30fc<\/th>\n\n\t\t\t\tmd\/AgI<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n

 <\/p>\n