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    [热点] 硕士和导师闹得不愉快 shouwu_he 2025-12-06 刚刚
    [Vasp&Me ] 【求助】如何计算各轨道电子数 (3/668) huijiany 2009-12-09 2009-12-10 10:41:30 by huijiany
    [MS] 【讨论】成键,反键,非键的问题    ( 1 2 ) (10/3316) pengge 2009-07-11 2009-12-10 10:23:35 by 夕阳西下
    [MS] 【其他】欢迎加入Materials-studio交流群,群号38633028 (1/86) liuhuan2017 2009-12-07 2009-12-10 09:52:04 by fu19871111
    [Vasp&Me ] 【求助】运行突然终止 6 (4/380) shalier 2009-12-08 2009-12-10 09:50:45 by shalier
    [MS] [关贴]【分享】Materials Studio帮助文件(中文版) (评阅+1) (0/200) 道道6831 2009-12-10 2009-12-10 09:45:44 by 道道6831
    [MS] 【求助】Dmol3不收敛策略    ( 1 2 ) (11/1673) jghe 2009-12-03 2009-12-10 09:39:12 by 水月慧心
    [MS] 【求助】关于磁性体系态密度的问题! 4 (5/1035) 375713000 2009-12-09 2009-12-10 09:27:21 by 375713000
    [MS] 【求助】castep单个氧原子能量的计算    ( 1 2 ) (10/1296) 七龙珠 2009-12-08 2009-12-10 08:54:18 by aaq2800
    [其他] 【求助】求助第一性原理计算的博后申请难易程度,有申请成功的吗? (4/524) chuzhaonan 2009-12-09 2009-12-10 08:34:39 by minmin_0082003
    [Vasp&Me ] 【求助】超胞的离子弛豫问题    ( 1 2 ) (10/1109) sure1027 2009-12-07 2009-12-09 23:18:22 by snail594
    [Vasp&Me ] [求助] VASP得到的态密度图是否可以分析成键的情况? (8/1177) chemofish 2009-01-15 2009-12-09 23:08:50 by bingmou
    [Siesta& ] 【求助】请高手指点siesta 如何判断收敛与否 (6/452) minmin_0082003 2009-12-08 2009-12-09 22:48:43 by fanchen021
    [MS] 【求助】ms4.4 license 安装问题 (0/301) chenjiuyang 2009-12-09 2009-12-09 22:46:35 by chenjiuyang
    [Vasp&Me ] 【求助】展宽    ( 1 2 3 ) 2 (28/2854) 2008911 2009-10-19 2009-12-09 21:43:32 by ice_rain
    [MS] 【求助】castep单个原子的优化 (1/172) 七龙珠 2009-12-09 2009-12-09 20:38:27 by mengfc
    [MS] 【求助】castep的自旋 (6/868) 七龙珠 2009-12-09 2009-12-09 20:19:43 by 水月慧心
    [Siesta& ] 【分享】ATK 2009.11 alpha-version 下载 (15/1922) zhfuchun 2009-11-15 2009-12-09 19:53:36 by freshgirl
    [其他] [关贴]【讨论】物理学报的格式 (评阅-2) (0/178) 徐亮8090 2009-12-09 2009-12-09 18:52:01 by 徐亮8090
    [MS] 【求助】MS4.2 for Linux License 10 (1/133) dgtxzhui 2009-12-09 2009-12-09 18:21:04 by aylayl08
    [Vasp&Me ] [关贴]【转帖】能带结构、DOS初步分析(对ATK计算入门的同学有帮助) (13/2046) fangyongxinxi 2009-07-25 2009-12-09 17:54:46 by Ilovenewyork
    [MS] 【求助】分层能态密度的计算 (1/216) guoguo3138 2009-12-09 2009-12-09 16:50:45 by huijiany
    [Abinit] 【求助】计算能带必须用GW修正吗? (评阅+1) (9/988) liuhuan2017 2009-11-15 2009-12-09 16:42:47 by qnsyhanjiu
    [MS] 【求助】dmol中Ha单位的转换 (4/532) linldq 2009-11-23 2009-12-09 15:31:16 by 283208234
    [其他] [关贴]【求助】物理学报模板 (评阅-10) (0/238) number1xu 2009-12-09 2009-12-09 15:11:04 by number1xu
    [Siesta& ] 【求助】请教siesta 3-b 在编译过程中出现make: *** No targets. Stop.的原因 (1/202) chuzhaonan 2009-12-09 2009-12-09 15:06:15 by kgdu
    [MS] 【求助】请问一下graphene的晶胞选择 10 (4/423) NUPT 2009-12-07 2009-12-09 14:19:58 by NUPT
    [MS] 【求助】flat potential energy surface怎么翻译 (2/176) tc1788 2009-12-09 2009-12-09 12:25:14 by tc1788
    [MS] 【求助】MS优化CNT出现的问题 (3/372) fangyongxinxi 2009-12-08 2009-12-09 10:39:56 by fangyongxinxi
    [MS] 【求助】LDA计算DOS与LDA+U计算DOS差别 (7/843) Hector8275 2009-11-11 2009-12-09 10:28:53 by y1ding
    [MS] 【求助】服务器计算数据下载失败,如何解决? 19 (3/549) sea_sky002 2009-12-07 2009-12-09 10:19:36 by Hector8275
    [MS] 【求助】ms4.4装在16个cpu的机子上为什么用不了 (7/422) sheqiuyun 2009-12-08 2009-12-09 09:21:44 by linldq
    [MS] 【求助】MS 4.4 图像总是显示两个 12 (2/263) jxw255 2009-12-08 2009-12-09 00:39:56 by jxw255
    [Abinit] 【求助】继续计算 (4/440) Amay6276 2009-12-07 2009-12-08 23:32:18 by Amay6276
    【求助】MOF结构如何建立    ( 1 2 ) (12/1342) zxzj05 2009-01-16 2009-12-08 22:00:40 by zcy760323
    [其他] 【其他】The Physical Principles of Magnetism (0/207) chimegreen 2009-12-08 2009-12-08 21:51:05 by chimegreen
    [MS] 【讨论】有人用MS中discover做金属或合金吗 6 (2/191) tc1788 2009-12-08 2009-12-08 20:36:55 by tc1788
    【求助】为什么我画出来的DOS不光滑呢 (4/787) huangyc 2009-04-12 2009-12-08 20:19:08 by sunyb83
    求助:VASP 输出文件DOSCAR (6/1755) 小小金书签 2009-03-19 2009-12-08 20:17:16 by sunyb83
    [MS] 【分享】【分享】MS4.4 for Linux (评阅+5) (3/739) wuchenwf 2009-12-06 2009-12-08 19:48:10 by jghe
    [其他] 【其他】2009年美国物理学会会士增选揭晓 (评阅+5) (2/509) zdhlover 2009-12-08 2009-12-08 19:45:11 by jghe
    [MS] 【求助】谁能告诉我能带图和态密度图横纵坐标以及图的意义是什么 (3/3352) mabao 2009-12-08 2009-12-08 19:40:00 by bingmou
    [MS] 【求助】Dmol3 运算的错误,请大家帮忙 (4/269) xuelian172 2009-12-07 2009-12-08 19:25:12 by xuelian172
    [Vasp&Me ] 【求助】vasp 优化出现的怪结果? (5/1527) 405963512 2009-12-06 2009-12-08 18:29:02 by gaoguoying1981
    [MS] 【求助】怎么样学好MS (评阅+1) (4/437) fu19871111 2009-12-08 2009-12-08 14:48:12 by aylayl08
    [MS] 【求助】哪里可以对光学性质的横轴也就是frequency的范围和frequency点的疏密进行设置 (3/248) liuhuan2017 2009-12-07 2009-12-08 14:21:07 by liuhuan2017
    [Vasp&Me ] 【求助】vasp怎样设置计算DOS时费米面上的部分? (6/685) jugengfans 2009-11-02 2009-12-08 13:30:36 by Ilovenewyork
    [MS] 【其他】MS里的光谱 (2/365) study163 2009-12-07 2009-12-08 12:22:54 by identation
    [MS] 【求助】哪位肯分享castep磁性计算方面的资料 (4/597) btvipvip 2009-12-07 2009-12-08 12:20:41 by identation
    [MS] 【分享】wustliang所传MS解晶体结构 (评阅+10) (1/547) wuchenwf 2009-12-06 2009-12-08 12:14:49 by gracer
    [Vasp&Me ] 【求助】求固体力学电子书 5 (0/185) zhangkun7581 2009-12-08 2009-12-08 10:07:03 by zhangkun7581
    [MS] 【求助】用MS模拟 (0/182) fu19871111 2009-12-08 2009-12-08 09:29:04 by fu19871111
    [MS] 【求助】远程连接MS Linux服务器 10 (3/504) dgtxzhui 2009-12-04 2009-12-08 06:45:19 by xujc1983
    [MS] 【求助】castep表面能 (2/265) 七龙珠 2009-12-07 2009-12-08 01:00:43 by ice_rain
    [Vasp&Me ] 【求助】求助,关于VASP 8 (1/195) lionz 2009-12-07 2009-12-07 23:54:56 by 后天一
    [MS] 【求助】差分电荷密图 (1/400) guoguo3138 2009-12-07 2009-12-07 23:48:14 by 后天一
    [MS] 【分享】Materials-Studio【已搜索无重复】 (评阅+8) (2/669) wuchenwf 2009-12-06 2009-12-07 22:59:23 by wuchenwf
    [其他] 【分享】台湾的第一原理計算材料学暑期课程 PPT(还包括上机文件) (评阅+5) (2/403) wuchenwf 2009-12-06 2009-12-07 22:11:40 by 山寨分子
    [MS] 【讨论】今天上传到纳米盘的很多资料下载不了? (4/370) btvipvip 2009-12-07 2009-12-07 21:02:06 by btvipvip
    [QE(Pwsc ] 【求助】pwscf 能量的计算    ( 1 2 ) (16/983) xwyan 2009-12-04 2009-12-07 20:17:01 by xwyan
    [其他] 【分享】写给做计算化学虫友们的一封信 by sandf (评阅+5) (6/917) wuchenwf 2009-12-06 2009-12-07 20:07:34 by wuchenwf
    [MS] 【求助】处理器问题 (4/432) fu19871111 2009-12-07 2009-12-07 20:05:17 by zdhlover
    [MS] 【讨论】费米能级处的dos图 (1/388) wwj_0905 2009-12-07 2009-12-07 18:50:18 by aylayl08
    [MS] 【求助】关于MS在win7下运行 2 (4/278) 学员UKbkc5 2009-12-04 2009-12-07 18:01:04 by xijinyang
    【分享】自已写的洛仑兹展宽的程序。可以从能级得到DOS,及做IR等 (18/2164) jjf_sxnu 2009-03-11 2009-12-07 14:15:12 by study163
    [Vasp&Me ] 【求助】vasp优化,不动了    ( 1 2 ) 3 (11/672) 405963512 2009-11-29 2009-12-07 14:08:23 by wangzg9292
    【求助】运行MS4.4出现问题 4 (5/560) linghanyuan 2009-05-27 2009-12-07 12:36:46 by dzhijie
    [MS] 【讨论】castep计算高分子有机物的电子结构时,应用用什么基组 (5/754) xiao2008zhu 2009-12-05 2009-12-07 11:59:48 by identation
    [MS] 【求助】请教如何确定声子谱中的横声学支,纵声学支?以及如何由对称点看晶向? (评阅+1) (5/1422) xtrlcj 2009-12-05 2009-12-07 11:50:55 by xirainbow
    [MS] 【求助】二阶张量介电常数的计算 (1/407) lindlar0078 2009-12-07 2009-12-07 11:47:17 by identation
    [其他] 【求助】什么是拓扑绝缘体 (5/1099) chimegreen 2009-12-06 2009-12-07 11:13:51 by chimegreen
    [Vasp&Me ] 【讨论】如何讨论金属体系的DOS,成键方式等    ( 1 2 ) (评阅+2) (12/992) leigao 2009-05-19 2009-12-07 09:15:04 by 王和禹
    [Vasp&Me ] 【求助】计算金属的磁学性质 (3/532) chanlien 2009-08-31 2009-12-07 08:56:45 by wangyujia
    [Vasp&Me ] 【求助】如何用VASP计算得到电荷转移量呀? (1/846) hechaoyu 2009-12-06 2009-12-07 08:54:14 by wangyujia
    【分享】CASTEP软件的几何优化 (15/2209) 迈步从头越 2009-01-17 2009-12-07 08:27:35 by aaq2800
    [MS] 【分享】GULP Scientific References - 2008 (4/680) wuchenwf 2009-12-06 2009-12-07 08:21:43 by yachunwang
    [MS] 【求助】问个问题,如何掺杂原子。 3 (2/273) cdmc 2009-12-06 2009-12-07 08:20:14 by yachunwang
    [MS] 【分享】CASTEP 程序作者之一的博士论文 (2/354) wuchenwf 2009-12-06 2009-12-06 21:55:05 by gavinliu7390
    [其他] 【分享】nist元素周期表 (1/198) wuchenwf 2009-12-06 2009-12-06 21:25:50 by ice_rain
    [其他] 【分享】分享study163的DFT相关资料 (0/497) wuchenwf 2009-12-06 2009-12-06 20:56:13 by wuchenwf
    【分享】ADF软件下载与基础教程 (5/2015) jieph 2009-03-19 2009-12-06 20:49:25 by lei0736
    Accelrys Discovery Studio v2.1 Accelrys.Discovery.Studio.v2.1 Win by SHooTERS (36/2840) 九层楼 2008-12-08 2009-12-06 20:48:43 by payne
    [其他] 【分享】清华大学化学系计算量子化学讲义 (0/388) wuchenwf 2009-12-06 2009-12-06 20:44:25 by wuchenwf
    [其他] 【分享】过年了(二)分享我的DFT相关资料 (37/1721) study163 2009-01-06 2009-12-06 20:41:33 by mingdong
    【分享】GULP Scientific References - 2008 (评阅+4) (6/1087) zxzj05 2008-12-09 2009-12-06 20:39:42 by mingdong
    [MS] 【分享】MS castep 计算化学高级教程 (0/408) wuchenwf 2009-12-06 2009-12-06 20:26:22 by wuchenwf
    [MS] 【分享】【分享】MS文章专辑 (0/388) wuchenwf 2009-12-06 2009-12-06 20:24:22 by wuchenwf
    [MS] 【分享】【分享】 Accelrys.Materials.Studio.V4.3.MERRY.XMAS (0/332) wuchenwf 2009-12-06 2009-12-06 20:23:33 by wuchenwf
    【分享】A Rough Guide to ELNES/EELS with Castep (3/635) hnnew 2008-12-24 2009-12-06 20:18:53 by mingdong
    [Vasp&Me ] 【讨论】招聘计算模拟区期刊《RCS》VASP方向编辑及征稿启事 (5/652) fegg7502 2009-11-06 2009-12-06 20:01:31 by gaoguoying1981
    [Abinit] 【讨论】DMOL3中所加电场的单位是ev/nm吗    ( 1 2 ) (18/2500) yanch000 2009-08-19 2009-12-06 19:53:17 by wuchenwf
    【求助】MS 中电荷密度问题 (1/242) zhaolz 2009-06-15 2009-12-06 18:48:47 by fegg7502
    [MS] 【求助】关于用MS画出的DOS图    ( 1 2 ) 1 (19/944) shalier 2009-12-01 2009-12-06 17:55:41 by panwenxiao
    [MS] 精华I【分享】castep模块快速入门教程    ( 1 2 ) (66/5022) 苹果落地 2008-11-16 2009-12-06 17:04:12 by zhg20002003
    [MS] 【讨论】《计算与模拟研究(RCS)》MS兼Abinit, ATK以及pwscf 分部 长期征稿启事 (8/1270) yjmaxpayne 2009-11-06 2009-12-06 17:00:50 by wwxq
    [MS] 【求助】LDA+U (6/434) hzy900211 2009-11-25 2009-12-06 15:31:03 by hlshi
    [MS] 【求助】优化晶胞    ( 1 2 ) (10/632) shitouming 2009-12-05 2009-12-06 15:13:19 by shitouming
    [MS] 【求助】Dmol3几何优化La离子在Y分子筛B笼的位置 (评阅+1) (4/526) gyf330 2009-12-04 2009-12-06 08:52:01 by study163
    [MS] 【求助】cinnabar在CASTEP中对应的那个空间群 (0/112) swzhangxd 2009-12-06 2009-12-06 08:25:20 by swzhangxd
    [MS] 【求助】有用MS的BTCL脚本的么? 4 (4/428) jugengfans 2009-09-10 2009-12-05 23:54:19 by jugengfans
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