{"id":104,"date":"2012-06-21T10:14:31","date_gmt":"2012-06-21T16:14:31","guid":{"rendered":""},"modified":"2013-10-26T06:16:26","modified_gmt":"2013-10-25T21:16:26","slug":"cs%e3%81%ae%e6%8c%af%e5%8b%95%e8%a7%a3%e6%9e%90-phonon_cs","status":"publish","type":"post","link":"https:\/\/www.cenav.org\/kdb\/?p=104","title":{"rendered":"Cs\u306e\u632f\u52d5\u89e3\u6790 PHONON_Cs"},"content":{"rendered":"<h3 id=\"kdb_body\">\u6982\u8981<\/h3>\n<p>BCC Cs\u7d50\u6676\u306e\u683c\u5b50\u632f\u52d5\u89e3\u6790\u3092\u884c\u3046\u3002<\/p>\n<h3 id=\"kdb_field_exe_env\">\u5b9f\u884c\u74b0\u5883<\/h3>\n<p>CPU: Intel Xeon X5450 3 GHz<\/p>\n<p>GPU:<\/p>\n<p>Memory:<\/p>\n<p>HDD:<\/p>\n<h3 id=\"kdb_field_description_simu_case\">\u8a73\u7d30\u8aac\u660e<\/h3>\n<table border=\"2\" cellpadding=\"0\" cellspacing=\"0\" width=\"452\">\n<colgroup>\n<col \/>\n<col \/>\n\t<\/colgroup>\n<thead>\n<tr height=\"19\">\n<th height=\"19\" scope=\"row\" style=\"height: 19px; width: 189px;\">\n\t\t\t\t\u9805\u76ee<\/th>\n<th scope=\"col\" style=\"width: 263px;\">\n\t\t\t\t\u8aac\u660e<\/th>\n<\/tr>\n<\/thead>\n<tbody>\n<tr height=\"19\">\n<th height=\"19\" scope=\"row\" style=\"height: 19px; width: 189px;\">\n\t\t\t\t\u5229\u7528\u6a5f\u80fd<\/th>\n<td style=\"width:263px;\">\n\t\t\t\t\u632f\u52d5\u89e3\u6790<\/td>\n<\/tr>\n<tr height=\"19\">\n<th height=\"19\" scope=\"row\" style=\"height: 19px; width: 189px;\">\n\t\t\t\t\u30d0\u30fc\u30b8\u30e7\u30f3<\/th>\n<td style=\"width:263px;\">\n\t\t\t\t\u516c\u958b\u7248\u30ea\u30d3\u30b8\u30e7\u30f366+&alpha;<\/td>\n<\/tr>\n<tr height=\"19\">\n<th height=\"19\" scope=\"row\" style=\"height: 19px; width: 189px;\">\n\t\t\t\t\u8a08\u7b97\u30bf\u30a4\u30d7<\/th>\n<td style=\"width:263px;\">\n\t\t\t\t1\u56de\u306e\u8a08\u7b97<\/td>\n<\/tr>\n<tr height=\"19\">\n<th height=\"19\" scope=\"row\" style=\"height: 19px; width: 189px;\">\n\t\t\t\t\u4e26\u5217\u6570<\/th>\n<td style=\"width:263px;\">\n\t\t\t\tk\u70b92\u4e26\u5217<\/td>\n<\/tr>\n<tr height=\"19\">\n<th height=\"19\" scope=\"row\" style=\"height: 19px; width: 189px;\">\n\t\t\t\t\u53c2\u7167\u8a08\u7b97\u6642\u9593<\/th>\n<td style=\"width:263px;\">\n\t\t\t\t2570\u79d2<\/td>\n<\/tr>\n<tr height=\"19\">\n<th height=\"19\" scope=\"row\" style=\"height: 19px; width: 189px;\">\n\t\t\t\t\u7cfb\u306e\u7a2e\u985e<\/th>\n<td style=\"width:263px;\">\n\t\t\t\t\u91d1\u5c5e<\/td>\n<\/tr>\n<tr height=\"19\">\n<th height=\"19\" scope=\"row\" style=\"height: 19px; width: 189px;\">\n\t\t\t\t\u5468\u671f\u6027<\/th>\n<td style=\"width:263px;\">\n\t\t\t\t3\u6b21\u5143<\/td>\n<\/tr>\n<tr height=\"19\">\n<th height=\"19\" scope=\"row\" style=\"height: 19px; width: 189px;\">\n\t\t\t\t\u7d44\u6210<\/th>\n<td style=\"width:263px;\">\n\t\t\t\tCs 2\u500b<\/td>\n<\/tr>\n<tr height=\"19\">\n<th height=\"19\" scope=\"row\" style=\"height: 19px; width: 189px;\">\n\t\t\t\t\u683c\u5b50\u5b9a\u6570<\/th>\n<td style=\"width:263px;\">\n\t\t\t\ta = 6.137943197 &Aring;<\/td>\n<\/tr>\n<tr height=\"19\">\n<th height=\"19\" scope=\"row\" style=\"height: 19px; width: 189px;\">\n\t\t\t\t\u30d6\u30e9\u30d9\u30fc\u683c\u5b50<\/th>\n<td style=\"width:263px;\">\n\t\t\t\t\u7acb\u65b9<\/td>\n<\/tr>\n<tr height=\"19\">\n<th height=\"19\" scope=\"row\" style=\"height: 19px; width: 189px;\">\n\t\t\t\t\u64ec\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u30d5\u30a1\u30a4\u30eb<\/th>\n<td style=\"width:263px;\">\n\t\t\t\tCs_ggapbe_paw_002.gncpp2<\/td>\n<\/tr>\n<tr height=\"19\">\n<th height=\"19\" scope=\"row\" style=\"height: 19px; width: 189px;\">\n\t\t\t\t\u78c1\u6027<\/th>\n<td style=\"width:263px;\">\n\t\t\t\t\u306a\u3057<\/td>\n<\/tr>\n<tr height=\"19\">\n<th height=\"19\" scope=\"row\" style=\"height: 19px; width: 189px;\">\n\t\t\t\t\u30ab\u30c3\u30c8\u30aa\u30d5\u30a8\u30cd\u30eb\u30ae\u30fc<\/th>\n<td style=\"width:263px;\">\n\t\t\t\t25 Rydberg<\/td>\n<\/tr>\n<tr height=\"19\">\n<th height=\"19\" scope=\"row\" style=\"height: 19px; width: 189px;\">\n\t\t\t\tk\u70b9\u30b5\u30f3\u30d7\u30ea\u30f3\u30b0<\/th>\n<td style=\"width:263px;\">\n\t\t\t\t6&times;6&times;6<\/td>\n<\/tr>\n<tr height=\"19\">\n<th height=\"19\" scope=\"row\" style=\"height: 19px; width: 189px;\">\n\t\t\t\t\u6ce2\u52d5\u95a2\u6570\u30bd\u30eb\u30d0\u30fc<\/th>\n<td style=\"width:263px;\">\n\t\t\t\tDavidson &rarr; rmm3<\/td>\n<\/tr>\n<tr height=\"19\">\n<th height=\"19\" scope=\"row\" style=\"height: 19px; width: 189px;\">\n\t\t\t\t\u96fb\u8377\u5bc6\u5ea6\u6df7\u5408\u6cd5<\/th>\n<td style=\"width:263px;\">\n\t\t\t\tpulay, amix=0.4<\/td>\n<\/tr>\n<tr height=\"19\">\n<th height=\"19\" scope=\"row\" style=\"height: 19px; width: 189px;\">\n\t\t\t\t\u53ce\u675f\u5224\u5b9a<\/th>\n<td style=\"width:263px;\">\n\t\t\t\t1e-10 1\u56de<\/td>\n<\/tr>\n<tr height=\"18\">\n<th height=\"37\" rowspan=\"2\" scope=\"row\" style=\"height: 37px; width: 189px;\">\n\t\t\t\t\u305d\u306e\u307b\u304b\u306e\u8a2d\u5b9a<\/th>\n<td style=\"width:263px;\">\n\t\t\t\t\u683c\u5b50\u632f\u52d5\u89e3\u6790\u306e\u8a2d\u5b9a<\/td>\n<\/tr>\n<tr height=\"19\">\n<td scope=\"row\" style=\"height: 19px; width: 263px;\">\n\t\t\t\t\u5909\u4f4d\u91cf\uff1a0.1 bohr (\u30c7\u30d5\u30a9\u30eb\u30c8\u5024)<\/td>\n<\/tr>\n<tr height=\"19\">\n<th height=\"19\" scope=\"row\" style=\"height: 19px; width: 189px;\">\n\t\t\t\t\u4f5c\u696d\u30c7\u30a3\u30ec\u30af\u30c8\u30ea\u30fc<\/th>\n<td style=\"width:263px;\">\n\t\t\t\tphonon\/Cs<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n<p>&nbsp;<\/p>\n<ul>\n<li>\n\t\t<strong>\u8a08\u7b97\u7d50\u679c<\/strong><\/p>\n<ul>\n<li>\n\t\t\t\t<strong>\u632f\u52d5\u30e2\u30fc\u30c9\u56f3<\/strong><\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p><img alt=\"\" src=\"\/kdb\/out\/i104_1.png\" \/><\/p>\n","protected":false},"excerpt":{"rendered":"<p>\u6982\u8981 BCC Cs\u7d50\u6676\u306e\u683c\u5b50\u632f\u52d5\u89e3\u6790\u3092\u884c\u3046\u3002 \u5b9f\u884c\u74b0\u5883 CPU: Intel Xeon X5450 3 GHz GPU: Memory: HDD: \u8a73\u7d30\u8aac\u660e \u9805\u76ee \u8aac\u660e \u5229\u7528\u6a5f\u80fd \u632f\u52d5\u89e3\u6790 \u30d0\u30fc\u30b8\u30e7\u30f3 \u516c\u958b\u7248\u30ea\u30d3\u30b8\u30e7\u30f36 [<a title=\"\u4f1a\u54e1\u767b\u9332\u304c\u5fc5\u8981\u3067\u3059\" href=\"https:\/\/www.cenav.org\/kdb\/?p=104\">\u5168\u6587\u3092\u8aad\u3080<\/a>]<\/p>\n","protected":false},"author":50,"featured_media":0,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":[],"categories":[106],"tags":[7],"_links":{"self":[{"href":"https:\/\/www.cenav.org\/kdb\/index.php?rest_route=\/wp\/v2\/posts\/104"}],"collection":[{"href":"https:\/\/www.cenav.org\/kdb\/index.php?rest_route=\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.cenav.org\/kdb\/index.php?rest_route=\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.cenav.org\/kdb\/index.php?rest_route=\/wp\/v2\/users\/50"}],"replies":[{"embeddable":true,"href":"https:\/\/www.cenav.org\/kdb\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=104"}],"version-history":[{"count":1,"href":"https:\/\/www.cenav.org\/kdb\/index.php?rest_route=\/wp\/v2\/posts\/104\/revisions"}],"predecessor-version":[{"id":257,"href":"https:\/\/www.cenav.org\/kdb\/index.php?rest_route=\/wp\/v2\/posts\/104\/revisions\/257"}],"wp:attachment":[{"href":"https:\/\/www.cenav.org\/kdb\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=104"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.cenav.org\/kdb\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=104"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.cenav.org\/kdb\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=104"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}