{"id":102,"date":"2012-06-20T16:59:14","date_gmt":"2012-06-20T22:59:14","guid":{"rendered":""},"modified":"2013-10-26T06:16:26","modified_gmt":"2013-10-25T21:16:26","slug":"%e3%82%b7%e3%83%aa%e3%82%b3%e3%83%b3%e7%b5%90%e6%99%b6%e3%81%ae%e9%99%bd%e9%9b%bb%e5%ad%90%e8%a7%a3%e6%9e%90-positron_al","status":"publish","type":"post","link":"https:\/\/www.cenav.org\/kdb\/?p=102","title":{"rendered":"\u30b7\u30ea\u30b3\u30f3\u7d50\u6676\u306e\u967d\u96fb\u5b50\u89e3\u6790 POSITRON_Al"},"content":{"rendered":"

\u6982\u8981<\/h3>\n

\u30c0\u30a4\u30e4\u30e2\u30f3\u30c9\u69cb\u9020Si\u7d50\u6676\u306e\u967d\u96fb\u5b50\u6d88\u6ec5\u306e\u5bff\u547d\u3092\u8a08\u7b97\u3059\u308b\u3002<\/p>\n

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

CPU: Intel Xeon X5450 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\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\u967d\u96fb\u5b50\u6d88\u6ec5\u6a5f\u80fd<\/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\t\u975e\u4e26\u5217<\/td>\n<\/tr>\n
\n\t\t\t\t\u53c2\u7167\u8a08\u7b97\u6642\u9593<\/th>\n\n\t\t\t\t30\u79d2<\/td>\n<\/tr>\n
\n\t\t\t\t\u7cfb\u306e\u7a2e\u985e<\/th>\n\n\t\t\t\t\u534a\u5c0e\u4f53<\/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\tSi 2\u500b<\/td>\n<\/tr>\n
\n\t\t\t\t\u683c\u5b50\u5b9a\u6570<\/th>\n\n\t\t\t\ta = 5.425 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\tSi_ggapbe_nc_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\t50 Rydberg<\/td>\n<\/tr>\n
\n\t\t\t\tk\u70b9\u30b5\u30f3\u30d7\u30ea\u30f3\u30b0<\/th>\n\n\t\t\t\t4×4×4<\/td>\n<\/tr>\n
\n\t\t\t\t\u6ce2\u52d5\u95a2\u6570\u30bd\u30eb\u30d0\u30fc<\/th>\n\n\t\t\t\tlm+msd → rmm3<\/td>\n<\/tr>\n
\n\t\t\t\t\u96fb\u8377\u5bc6\u5ea6\u6df7\u5408\u6cd5<\/th>\n\n\t\t\t\tbroyden2, amix=0.8<\/td>\n<\/tr>\n
\n\t\t\t\t\u53ce\u675f\u5224\u5b9a<\/th>\n\n\t\t\t\t1e-10 3\u56de<\/td>\n<\/tr>\n
\n\t\t\t\t\u305d\u306e\u307b\u304b\u306e\u8a2d\u5b9a<\/th>\n\n\t\t\t\t\u967d\u96fb\u5b50\u6d88\u6ec5\u306e\u8a2d\u5b9a<\/td>\n<\/tr>\n
\n\t\t\t\t\u53ce\u675f\u5224\u5b9a\uff1a1e-8 rydberg<\/td>\n<\/tr>\n
\n\t\t\t\t\u8a98\u96fb\u7387\u88dc\u6b63 : 12<\/td>\n<\/tr>\n
\n\t\t\t\t\u4f5c\u696d\u30c7\u30a3\u30ec\u30af\u30c8\u30ea\u30fc<\/th>\n\n\t\t\t\tpositron\/Si<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n

 <\/p>\n