{"id":110169,"date":"2017-11-05T06:30:05","date_gmt":"2017-11-04T22:30:05","guid":{"rendered":"\/\/m.iemloyee.com\/?p=110169"},"modified":"2017-11-11T23:01:43","modified_gmt":"2017-11-11T15:01:43","slug":"%e7%ac%ac%e4%b8%80%e6%80%a7%e5%8e%9f%e7%90%86%e8%ae%a1%e7%ae%97%e8%bd%af%e4%bb%b6%e6%94%bb%e7%95%a5-%e5%88%a9%e7%94%a8vesta%e7%bb%98%e5%88%b6%e5%b7%ae%e5%88%86%e7%94%b5%e8%8d%b7%e5%af%86%e5%ba%a6","status":"publish","type":"post","link":"\/\/m.iemloyee.com\/?p=110169","title":{"rendered":"\u7b2c\u4e00\u6027\u539f\u7406\u8ba1\u7b97\u8f6f\u4ef6\u653b\u7565-\u5229\u7528VESTA\u7ed8\u5236\u5dee\u5206\u7535\u8377\u5bc6\u5ea6\u56fe\u89e3"},"content":{"rendered":"<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-110217\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/11\/ruanjian.png\" alt=\"\" width=\"600\" height=\"275\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/11\/ruanjian.png 600w, 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VESTA\u5168\u79f0\u4e3aVisualization for electronic and structural analysis. \u662f\u4e00\u6b3e\u514d\u8d39\u7684\u53ef\u89c6\u5316\u8f6f\u4ef6\uff0c\u53ef\u4ee5\u5e2e\u52a9\u5de5\u4f5c\u8005\u5229\u7528\u7b2c\u4e00\u6027\u539f\u7406\u8ba1\u7b97\u5f97\u5230\u7684\u6570\u636e\u5236\u4f5c\u51fa\u8d4f\u5fc3\u60a6\u76ee\u7684\u56fe\u7247\u3002\u5e76\u4e14VESTA\u53ef\u4ee5\u8fd0\u884cMaterials Studio\u5efa\u6a21\u8f6f\u4ef6\u4e2d\u7684\u90e8\u5206\u8f93\u51fa\u6587\u4ef6\uff0c\u901a\u8fc7VESTA\u548cMS\uff08Materials 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center;\">\u56fe1<\/p>\n<p>\u5982\u56fe\u6240\u793a\uff0c\u5de6\u9762\u680f\u91cc\u9ed1\u8272\u7bad\u5934\u4ee3\u8868\u6a21\u578b\u4e09\u7ef4\u7a7a\u95f4\u7684\u7acb\u4f53\u5c55\u73b0\uff0c\u901a\u8fc7\u70b9\u51fb\u9ed1\u8272\u7bad\u5934\uff0c\u5728\u53f3\u65b9\u7ed3\u6784\u6a21\u578b\u5904\u79fb\u52a8\u9f20\u6807\u53ef\u4ee5\u5b9e\u73b0\u6a21\u578b\u7684\u4e09\u7ef4\u65cb\u8f6c\u3002\u800c\u7b2c\u4e8c\u4e2a\u767d\u8272\u6807\u53f7\u7bad\u5934\uff0c\u5219\u53ef\u4ee5\u5b9e\u73b0\u539f\u5b50\u7684\u9009\u53d6\u3002\u5176\u4e2d\u5341\u5b57\u6807\u53f7\u53ef\u4ee5\u4f7f\u6a21\u578b\u5728\u53ef\u89c6\u5316\u7a97\u53e3\u4e2d\u8fdb\u884c\u4e0a\u4e0b\u5de6\u53f3\u7684\u79fb\u52a8\u3002\u800c\u56fe2\u8fd9\u51e0\u4e2a\u6807\u53f7\uff0c\u5206\u522b\u4ee3\u8868\u4e24\u4e2a\u539f\u5b50\u4e4b\u95f4\u7684\u8ddd\u79bb\u3001\u4e09\u4e2a\u539f\u5b50\u4e4b\u95f4\u5448\u73b0\u7684\u5939\u89d2\u3001\u5e73\u9762\u89d2\u548c\u754c\u9762\u4e4b\u95f4\u7684\u5939\u89d2\u3002\u5982\u56fe3\u6240\u793a\uff0c\u754c\u9762\u680f\u4e0a\u65b9\u7684a, b, c\u548ca*, b*\u548cc*\u5219\u53ef\u4ee5\u76f4\u63a5\u5b9e\u73b0\u6a21\u578b\u5728x\u3001y\u548cz\u8f74\u4e0a\u9762\u7684\u89c6\u89d2\u3002<img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-110182\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/11\/22-1.png\" alt=\"\" width=\"41\" height=\"147\" \/><\/p>\n<p style=\"text-align: center;\">\u56fe2<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-110183\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/11\/3-6.png\" alt=\"\" width=\"740\" height=\"416\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/11\/3-6.png 740w, \/\/m.iemloyee.com\/wp-content\/uploads\/2017\/11\/3-6-300x169.png 300w\" sizes=\"(max-width: 740px) 100vw, 740px\" \/><\/p>\n<p style=\"text-align: center;\">\u56fe3<\/p>\n<p>2. \u5dee\u5206\u7535\u8377\u5bc6\u5ea6\u56fe<\/p>\n<p> \u5dee\u5206\u7535\u8377\u5bc6\u5ea6\u56fe\u662f\u901a\u8fc7\u6210\u952e\u540e\u7684\u7535\u8377\u5bc6\u5ea6\u4e0e\u5bf9\u5e94\u7684\u70b9\u7684\u539f\u5b50\u7535\u8377\u5bc6\u5ea6\u76f8\u51cf\u83b7\u5f97\u3002\u901a\u8fc7\u5dee\u5206\u7535\u8377\u5bc6\u5ea6\u7684\u8ba1\u7b97\u548c\u5206\u6790\uff0c\u53ef\u4ee5\u6e05\u695a\u5730\u5f97\u5230\u5728\u6210\u952e\u548c\u6210\u952e\u7535\u5b50\u8026\u5408\u8fc7\u7a0b\u4e2d\u7684\u7535\u8377\u79fb\u52a8\u4ee5\u53ca\u6210\u952e\u6781\u5316\u65b9\u5411\u7b49\u6027\u8d28\u3002\u5dee\u5206\u7535\u8377\u5bc6\u5ea6\u56fe\u5728\u7b2c\u4e00\u6027\u539f\u7406\u8ba1\u7b97\u4e2d\u7684\u5e94\u7528\u591a\u96c6\u4e2d\u4e8e\u5206\u6790\u7ed3\u6784\u4f18\u5316\u540e\u6a21\u578b\u7684\u539f\u5b50\u95f4\u6210\u952e\u60c5\u51b5\uff0c\u5c24\u5176\u5728\u754c\u9762\u8ba1\u7b97\u4e2d\uff0c\u901a\u8fc7\u5dee\u5206\u7535\u8377\u5bc6\u5ea6\u5206\u6790\uff0c\u53ef\u4ee5\u521d\u6b65\u76f4\u89c2\u7684\u5224\u65ad\u754c\u9762\u7684\u7ed3\u5408\u65b9\u5f0f\u3002\u4e3e\u4e24\u79cd\u6750\u6599\u7ec4\u6210\u7684\u754c\u9762\u4e3a\u4f8b\uff0c\u5dee\u5206\u7535\u8377\u5bc6\u5ea6\u7684\u8ba1\u7b97\u516c\u5f0f\u4e3a\uff1a \u2206\u03c1 = \u03c1AB \u2212 \u03c1A \u2013 \u03c1B\u3002\u03c1AB\u4ee3\u8868\u4e86\u754c\u9762\u4f18\u5316\u540e\u7684\u7ed3\u6784\u7535\u8377\u5bc6\u5ea6\uff0c\u03c1A\u4ee3\u8868\u7ec4\u6210\u754c\u9762\u7684\u6750\u6599A\u7684\u7535\u8377\u5bc6\u5ea6\uff0c\u03c1B\u4ee3\u8868\u7ec4\u6210\u754c\u9762\u7684\u6750\u6599B\u7684\u7535\u8377\u5bc6\u5ea6\u3002\u5c06\u5b83\u4eec\u4f5c\u51cf\uff0c\u5373\u53ef\u5f97\u5230\u6750\u6599A\u548c\u6750\u6599B\u7ec4\u6210\u754c\u9762AB\u540e\u7684\u7535\u8377\u5bc6\u5ea6\u53d8\u5316\uff0c\u8fdb\u800c\u53ef\u4ee5\u5206\u6790\u754c\u9762\u4e2d\u7684\u7535\u8377\u79fb\u52a8\u7b49\u6027\u8d28\u3002\u5982\u56fe4\u6240\u793a\uff0c\u663e\u793a\u4e86\u77f3\u58a8\u70ef\u3001\u63ba\u6742\u77f3\u58a8\u70ef\u548c\u6c27\u5316\u9502\u7ec4\u6210\u754c\u9762\u540e\u7684\u5dee\u5206\u7535\u8377\u5bc6\u5ea6\u56fe\u3002\u5176\u4e2d\u9ec4\u8272\u533a\u57df\u4ee3\u8868\u7535\u5b50\u96c6\u805a\u7684\u533a\u57df\uff0c\u84dd\u8272\u533a\u57df\u8868\u793a\u7535\u5b50\u635f\u5931\u7684\u533a\u57df\u3002\u901a\u8fc7\u5dee\u5206\u7535\u8377\u5bc6\u5ea6\u56fe\uff0c\u6211\u4eec\u53ef\u4ee5\u770b\u51fa\u77f3\u58a8\u70ef\u548c\u6c27\u5316\u9502\u7ec4\u6210\u754c\u9762\u540e\uff0c\u77f3\u58a8\u70ef\u7684\u7535\u5b50\u53d1\u751f\u91cd\u6392\uff0c\u96c6\u805a\u5728\u77f3\u58a8\u70ef\u548c\u6c27\u5316\u9502\u7684\u754c\u9762\u4e2d\u3002<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-110184\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/11\/4-7.png\" alt=\"\" width=\"477\" height=\"235\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/11\/4-7.png 477w, \/\/m.iemloyee.com\/wp-content\/uploads\/2017\/11\/4-7-300x148.png 300w\" sizes=\"(max-width: 477px) 100vw, 477px\" \/><\/p>\n<p style=\"text-align: center;\">\u56fe4<\/p>\n<p>\u5728\u8ba1\u7b97\u7814\u7a76\u4f53\u7cfb\u7684\u5dee\u5206\u7535\u8377\u5bc6\u5ea6\u65f6\uff0c\u754c\u9762AB\uff0c\u6750\u6599A\u548c\u6750\u6599B\u7684\u6a21\u578b\u5e94\u4fdd\u6301\u540c\u4e00\uff0c\u4e5f\u5c31\u662f\u8bf4\u9700\u8981\u653e\u5728\u76f8\u540c\u7684\u5927\u5c0f\u683c\u5b50\u4e2d\u3002\u5f53\u5f97\u5230\u5dee\u5206\u7535\u8377\u5bc6\u5ea6\u7684\u8f93\u51fa\u6587\u4ef6\u540e\uff0c\u53ef\u4ee5\u5728\u5404\u5355\u72ec\u4f53\u7cfb\u4e2d\u7684OUTCAR\u68c0\u9a8c\u754c\u9762AB\uff0c\u6750\u6599A\u548c\u6750\u6599B\u7684NGX, NGY, NGZ\u662f\u5426\u4e00\u81f4\uff0c\u907f\u514d\u56e0\u4e3a\u683c\u70b9\u4e0d\u540c\u800c\u5bfc\u81f4\u5dee\u5206\u7535\u8377\u5bc6\u5ea6\u56fe\u65e0\u6cd5\u6b63\u5e38\u7ed8\u5236\u7684\u60c5\u51b5\u53d1\u751f\u3002<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-110185\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/11\/5-6.png\" alt=\"\" width=\"461\" height=\"56\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/11\/5-6.png 461w, \/\/m.iemloyee.com\/wp-content\/uploads\/2017\/11\/5-6-300x36.png 300w\" sizes=\"(max-width: 461px) 100vw, 461px\" \/><\/p>\n<p>\u5982\u679c\u5728OUTCAR\u91cc\u53d1\u73b0\u53c2\u6570\u5e76\u4e0d\u76f8\u540c\u65f6\uff0c\u9700\u8981\u5728INCAR\u91cc\u901a\u8fc7\u8bbe\u7f6eNGX\uff0cNGY\uff0cNGZ\u4fdd\u6301\u4e00\u81f4\u4f7f\u6570\u636e\u6b63\u5e38\u8f93\u51fa\u3002\u4f7f\u7528VESTA\u7ed8\u5236\u5dee\u5206\u7535\u8377\u5bc6\u5ea6\u56fe\u65f6\uff0c\u9700\u8981\u8f93\u51fa\u6587\u4ef6CHGCAR\uff0c\u4f8b\u5982\u8981\u5f97\u5230A\u3001B\u4e24\u76f8\u7ec4\u6210\u7684\u754c\u9762\u4f53\u7cfb\u7684\u5dee\u5206\u7535\u8377\u5bc6\u5ea6\u56fe\uff0c\u5219\u9700\u8981\u5f97\u5230\u754c\u9762AB\u3001\u6750\u6599A\u548c\u6750\u6599B\u5404\u81ea\u7684CHGCAR\u3002\u7136\u540e\u5229\u7528\u4e0a\u8ff0\u516c\u5f0f\u2206\u03c1 = \u03c1AB \u2212 \u03c1A \u2013 \u03c1B \u5c06\u5bf9\u5e94\u7684CHGCAR\u5728VESTA\u91cc\u8fdb\u884c\u76f8\u51cf\u5219\u53ef\u4ee5\u8fbe\u6210\u76ee\u7684\u3002<\/p>\n<p>3. \u5982\u4f55\u5229\u7528VESTA\u4f5c\u56fe\u5dee\u5206\u7535\u8377\u5bc6\u5ea6\u56fe<\/p>\n<p> \u5728\u5229\u7528VESTA\u4f5c\u56fe\u5dee\u5206\u7535\u8377\u5bc6\u5ea6\u56fe\u65f6\uff0c\u4e3a\u4e86\u65b9\u4fbf\u7528\u56fe\u793a\u89e3\u91ca\u8fc7\u7a0b\uff0c\u6211\u4eec\u4f9d\u65e7\u91c7\u7528\u77f3\u58a8\u70ef\/\u6c27\u5316\u9502\u7684\u754c\u9762\u6a21\u578b\u4f5c\u56fe\u3002<\/p>\n<p> \uff081\uff09\u9996\u5148\u5c06\u603b\u4f53\u7cfb\u7684CHGCAR\u5bfc\u5165VESTA\u91cc\uff0c\u5728\u8fd9\u91cc\uff0c\u76f4\u63a5\u5c06\u6587\u4ef6\u5939\u91cc\u7684CHGCAR\u62d6\u5165VESTA\u5c31\u53ef\u4ee5\uff0cCHGCAR\u6587\u4ef6\u4e00\u822c\u4e3a\u4e00\u767e\u5146\u6216\u8005\u66f4\u5927\uff0c\u6240\u4ee5\uff0c\u5728VESTA\u5bfc\u5165CHGCAR\u65f6\uff0c\u5982\u679c\u54cd\u5e94\u6bd4\u8f83\u6162\u7684\u8bdd\uff0c\u8bf7\u8010\u5fc3\u7b49\u5f85\uff0c\u5982\u679c\u5f3a\u884c\u8fd0\u884c\uff0c\u53ef\u80fd\u5bfc\u81f4\u8f6f\u4ef6\u5d29\u6e83\u3002<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-110186\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/11\/7-3.png\" alt=\"\" width=\"740\" height=\"559\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/11\/7-3.png 740w, \/\/m.iemloyee.com\/wp-content\/uploads\/2017\/11\/7-3-300x227.png 300w\" sizes=\"(max-width: 740px) 100vw, 740px\" \/><\/p>\n<p style=\"text-align: center;\">\u56fe5<\/p>\n<p>\uff082\uff09\u5728\u5bfc\u5165\u754c\u9762\u603b\u4f53\u7cfb\u7684CHGCAR\u540e\uff0c\u5bfc\u5165\u6750\u6599A\u7684CHGCAR\uff1b\u5728\u5bfc\u5165\u6750\u6599A\u7684CHGCAR\u65f6\uff0c\u8981\u5728\u4e0a\u4e00\u4e2a\u6b65\u9aa4\u7684\u57fa\u7840\u4e0a\u8fdb\u884c\u5bfc\u5165\uff0c\u4f9d\u6b21\u70b9\u51fb\u4e0a\u680f\u4e2d\u7684Edit-Edit Data-Volumetric Data\u3002<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-110187\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/11\/8-4.png\" alt=\"\" width=\"740\" height=\"416\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/11\/8-4.png 740w, \/\/m.iemloyee.com\/wp-content\/uploads\/2017\/11\/8-4-300x169.png 300w\" sizes=\"(max-width: 740px) 100vw, 740px\" \/><\/p>\n<p style=\"text-align: center;\">\u56fe6<\/p>\n<p>\u6b64\u540e\uff0c\u754c\u9762\u663e\u793a\u5982\u4e0b\u56fe\u6240\u793a\uff0c\u7136\u540e\u70b9\u51fbImport\uff0c\u5bfc\u5165\u6750\u6599A\u7684CHGCAR<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-110189\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/11\/9-2.png\" alt=\"\" width=\"740\" height=\"416\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/11\/9-2.png 740w, \/\/m.iemloyee.com\/wp-content\/uploads\/2017\/11\/9-2-300x169.png 300w\" sizes=\"(max-width: 740px) 100vw, 740px\" \/><\/p>\n<p style=\"text-align: center;\">\u56fe7<\/p>\n<p style=\"text-align: left;\">\n \u5728\u5bfc\u5165\u6750\u6599A\u7684CHGCAR\u540e\uff0c\u754c\u9762\u663e\u793a\u5982\u56fe8\u6240\u793a\uff0c\u70b9\u51fbSubtract from current data\u548cRaw Data\uff0c\u6700\u540e\u70b9\u51fb\u786e\u5b9aok\u3002\u5907\u6ce8\uff1a\u70b9\u51fbOK\u540e\u53cd\u5e94\u65f6\u95f4\u8f83\u957f\uff0c\u8bf7\u8010\u5fc3\u7b49\u5f85\u3002<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-110190\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/11\/10-1.png\" alt=\"\" width=\"740\" height=\"416\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/11\/10-1.png 740w, \/\/m.iemloyee.com\/wp-content\/uploads\/2017\/11\/10-1-300x169.png 300w\" sizes=\"(max-width: 740px) 100vw, 740px\" \/><\/p>\n<p style=\"text-align: center;\">\u56fe8<\/p>\n<p>\u5728\u51fa\u73b0\u5982\u4e0b\u56fe\u6240\u793a\u7684\u754c\u9762\u540e\uff0c\u5219\u5bfc\u5165\u6750\u6599A\u7684CHGCAR\u5df2\u7ecf\u6210\u529f\uff0c\u6309\u7167\u4e0a\u8ff0\u7a0b\u5e8f\uff0c\u518d\u91cd\u590d\u5bfc\u5165\u6750\u6599B\u7684CHGCAR\u3002<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-110191\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/11\/11-1.png\" alt=\"\" width=\"740\" height=\"416\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/11\/11-1.png 740w, \/\/m.iemloyee.com\/wp-content\/uploads\/2017\/11\/11-1-300x169.png 300w\" sizes=\"(max-width: 740px) 100vw, 740px\" \/><\/p>\n<p style=\"text-align: center;\">\u56fe9<\/p>\n<p>\u5bfc\u5165\u6750\u6599B\u7684CHGCAR\u540e\u754c\u9762\u5982\u56fe10\u6240\u793a\uff0c\u6b64\u65f6\u70b9\u51fbOK\u5f97\u5230\u8be5\u4f53\u7cfb\u7684\u5dee\u5206\u7535\u8377\u5bc6\u5ea6\u56fe\u7684\u521d\u6b65\u663e\u793a\u3002<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-110192\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/11\/12.png\" alt=\"\" width=\"740\" height=\"416\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/11\/12.png 740w, \/\/m.iemloyee.com\/wp-content\/uploads\/2017\/11\/12-300x169.png 300w\" sizes=\"(max-width: 740px) 100vw, 740px\" \/><\/p>\n<p style=\"text-align: center;\">\u56fe10<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-110193\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/11\/13.png\" alt=\"\" width=\"740\" height=\"416\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/11\/13.png 740w, \/\/m.iemloyee.com\/wp-content\/uploads\/2017\/11\/13-300x169.png 300w\" sizes=\"(max-width: 740px) 100vw, 740px\" \/><\/p>\n<p style=\"text-align: center;\">\u56fe11<\/p>\n<p>\u70b9\u51fbShow Section\u5bf9\u7ed8\u5236\u7684\u56fe\u8fdb\u884c\u7b80\u5355\u5904\u7406\uff0c\u53ef\u4ee5\u770b\u5230\u56fe11\u7684\u5c0f\u84dd\u8272\u533a\u57df\u6d88\u5931\uff0c\u5982\u56fe12\u6240\u793a\u3002<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-110194\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/11\/14.png\" alt=\"\" width=\"740\" height=\"416\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/11\/14.png 740w, \/\/m.iemloyee.com\/wp-content\/uploads\/2017\/11\/14-300x169.png 300w\" sizes=\"(max-width: 740px) 100vw, 740px\" \/><\/p>\n<p style=\"text-align: center;\">\u56fe12<\/p>\n<p>\u6b64\u65f6\uff0c\u8c03\u6574\u7b49\u503c\u9762(isosurface level)\u7684\u6570\u503c\uff0c\u7f8e\u5316\u56fe\u5f62\u5c31\u53ef\u4ee5\u5f97\u5230\u5b8c\u6574\u7684\u5dee\u5206\u7535\u8377\u5bc6\u5ea6\u56fe\u4e86\u3002\u4e0d\u540c\u6750\u6599\u7684\u7b49\u503c\u9762\u8bbe\u7f6e\u4e0d\u540c\uff0c\u6839\u636e\u81ea\u5df1\u7684\u4f53\u7cfb\u8fdb\u884c\u8c03\u6574\u3002<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-110195\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/11\/15.png\" alt=\"\" width=\"740\" height=\"416\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/11\/15.png 740w, \/\/m.iemloyee.com\/wp-content\/uploads\/2017\/11\/15-300x169.png 300w\" sizes=\"(max-width: 740px) 100vw, 740px\" \/><\/p>\n<p style=\"text-align: center;\">\u56fe13<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-110196\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/11\/16.png\" alt=\"\" width=\"740\" height=\"416\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/11\/16.png 740w, \/\/m.iemloyee.com\/wp-content\/uploads\/2017\/11\/16-300x169.png 300w\" sizes=\"(max-width: 740px) 100vw, 740px\" \/><\/p>\n<p style=\"text-align: center;\">\u56fe14<\/p>\n<p>\u8c03\u6574\u5b8c\u540e\uff0c\u5c31\u53ef\u4ee5\u5bfc\u51fa\u56fe\u5f62\u4e86\uff0c\u6b64\u65f6\u70b9\u51fbFile-Export-Raster Image\u5c31\u53ef\u4ee5\u5bfc\u51fa\u5230\u81ea\u5df1\u6570\u636e\u56fe\u5f62\u653e\u7f6e\u7684\u6587\u4ef6\u5939\u4e86\u3002\u4e4b\u540e\u91c7\u7528PS\u5bf9\u56fe\u5f62\u8fdb\u884c\u8fdb\u4e00\u6b65\u7f8e\u5316\uff0c\u5c31\u53ef\u4ee5\u5f97\u5230\u6f02\u4eae\u7684\u5dee\u5206\u7535\u8377\u5bc6\u5ea6\u5bc6\u5ea6\u56fe\u4e86\uff0c\u5982\u56fe15\u6240\u793a\u3002<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-110197\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/11\/17.png\" alt=\"\" width=\"740\" height=\"416\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/11\/17.png 740w, \/\/m.iemloyee.com\/wp-content\/uploads\/2017\/11\/17-300x169.png 300w\" sizes=\"(max-width: 740px) 100vw, 740px\" \/><\/p>\n<p style=\"text-align: center;\">\u56fe15<\/p>\n<p>\u914d\u56fe\u4e2d\u6240\u7528\u7684\u53c2\u8003\u6587\u732e<br \/>\n 1. Wang, T.; Zhao, N.; Shi, C.; Ma, L.; He, F.; He, C.; Li, J.; Liu, E., Interface and Doping Effects on Li Ion Storage Behavior of Graphene\/Li2O. 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