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    [热点] 心脉受损 偏振片 2025-12-18 刚刚
    [Vasp&Me ] 【求助】关于K点 (2/194) stractor 2008-07-11 2008-07-11 21:40:14 by stractor
    [MS] 【求助】castep计算红外出错 (0/122) hydecat 2008-07-11 2008-07-11 11:51:15 by hydecat
    [MS] 【求助】MS中DMol3计算出错 (1/559) 阳光不锈钢 2008-07-08 2008-07-11 10:11:35 by liwl926
    [MS] [求助]：水环境下药剂与矿物的吸附能 (0/104) jingshanfeiyan 2008-07-11 2008-07-11 10:08:24 by jingshanfeiyan
    [MS] [求助] (评阅-2) (2/119) pepahuang 2008-07-10 2008-07-10 21:27:38 by pepahuang
    [Vasp&Me ] 【求助】请教vasp如何算光学性质和介电常数 (1/368) mermaid1128 2008-06-30 2008-07-10 21:04:03 by vasp
    【求助】晶格参数优化    ( 1 2 ) (12/1141) yiyang100 2008-04-17 2008-07-10 11:37:09 by z_zhong
    [MS] 【求助】ms计算问题求助 (4/413) pepahuang 2008-06-20 2008-07-10 11:33:51 by liliracial
    [MS] 【求助】CASTEP优化晶胞失败 (3/649) mengsk 2008-07-09 2008-07-10 08:31:29 by mengsk
    [求助]关于ISMEAR和SIGMA的选取 (1/375) chenweiguang 2008-07-09 2008-07-09 22:28:29 by frank178
    [MS] [【求助】布居分布 (5/907) 066040223 2008-07-07 2008-07-09 21:18:13 by liliracial
    [MS] [求助]请问那个版本可以在vista下使用？ (4/248) fah 2008-07-07 2008-07-09 15:57:12 by xmc8362
    [MS] [求助]轨道图如何分析 (2/217) searchbaibai 2008-07-09 2008-07-09 15:13:06 by goodman959
    [MS] 有奖求助：关于Build layer的问题，谢谢(已解决) (7/899) lawnw 2008-07-07 2008-07-09 14:35:52 by lawnw
    [MS] 【求助】表面能计算问题 (2/262) s638638 2008-07-09 2008-07-09 11:35:16 by csfn
    [MS] 【求助】如何在DPD时给材料加上外力 (1/180) 古巨风 2008-07-09 2008-07-09 07:40:28 by hdh912
    [MS] 优化的一些问题 (2/203) liucaca 2008-07-08 2008-07-08 21:06:17 by liucaca
    [MS] [求助]关于表面吸附原子层束缚问题，高手指点 (3/377) s638638 2008-07-08 2008-07-08 19:42:05 by s638638
    【求助】 表面吸附问题 (2/231) wangqj1 2008-07-08 2008-07-08 19:03:45 by saitou
    [Vasp&Me ] [求助]由电子密度分布怎么来计算电场分布，或有其他软件能做到吗？ (2/156) wuyelong520 2008-07-08 2008-07-08 17:44:02 by wuyelong520
    【求助】Comparing with VASP, what is the advantages and disadvantages of ABINIT? (3/532) multiscale 2008-06-17 2008-07-08 12:29:51 by 灯塔守望者
    【求助】安装MS 4.2 for Unix总是中断 (7/708) alexey 2008-06-06 2008-07-08 10:22:26 by alexey
    【求助】MS计算结构的总能怎么看？ (3/360) xiaoyudian568 2008-07-07 2008-07-08 09:00:41 by xiaoyudian568
    [MS] [求助]MS4.3哪里可以下载，呵呵    ( 1 2 ) 3 (11/1334) dawnlight 2008-04-25 2008-07-07 21:34:27 by fah
    [MS] [求助] 如何在MS中建立一个溶剂层？ 5 (6/554) chunwang 2008-07-07 2008-07-07 21:17:51 by mengsk
    [MS] 求晶格能的计算方法 2 (评阅-2) (3/951) chunwang 2008-04-21 2008-07-07 16:03:26 by chunwang
    [MS] 【求助】加真空层导致的结果 (2/180) harry_ll8228 2008-07-07 2008-07-07 15:41:18 by harry_ll8228
    【求助】自旋极化对矿物表面构型和分子在表面上的吸附行为有影响吗？ (金币≥5)(3/65) mengsk 2008-07-06 2008-07-07 09:57:25 by mengsk
    [MS] 【求助】linux版本安装 (4/776) acridine 2008-07-05 2008-07-06 23:03:16 by panda_wendao
    [MS] [求助]参杂TiO2 能带计算 (2/237) ustc 2008-07-06 2008-07-06 19:09:41 by aylayl08
    [MS] 【求助】Rh/Al2O3吸附甲烷计算 20 (1/143) 学员5dMass 2008-07-06 2008-07-06 19:06:29 by aylayl08
    [MS] MS4.3的Liniux安装程序出来了吗？谢谢 (1/160) 沙风 2008-07-06 2008-07-06 10:54:27 by lisa837
    [MS] 【求助】occcupancy具体指什么意思？ (金币≥5)(3/92) mengsk 2008-07-04 2008-07-05 16:21:35 by aylayl08
    【求助】Mg(OH)2 (001)晶面模型及力场分配问题，谢谢！！！ (2/157) lawnw 2008-07-02 2008-07-05 10:06:24 by lawnw
    [MS] 求助：模拟化学反应中间产物，用什么模块？ 5 (0/142) lawnw 2008-07-05 2008-07-05 09:38:13 by lawnw
    [MS] 【求助】问个事，关于windows系统 (1/127) acridine 2008-07-05 2008-07-05 09:22:27 by aylayl08
    [MS] [求助]MS建模问题 (3/406) 幻之空 2008-07-04 2008-07-04 21:22:09 by aylayl08
    [Vasp&Me ] 编译错误undefined reference.... (0/66) sure1027 2008-07-04 2008-07-04 16:52:50 by sure1027
    [MS] [求助]CASTEP作优化，能量没收敛就结束了 (3/355) mengsk 2008-07-04 2008-07-04 16:20:23 by aylayl08
    [MS] 【讨论】单机多核计算MS的问题    ( 1 2 ) (10/831) zorro545 2008-06-27 2008-07-04 16:18:12 by zorro545
    [MS] 【求助】关于MS4.3？ (0/131) smazz 2008-07-04 2008-07-04 15:14:51 by smazz
    [MS] 【求助】如何在MS里面实现零点能修正？ (2/187) xuelian172 2008-07-03 2008-07-04 10:57:37 by xuelian172
    [MS] MS计算能带图分析 (2/1274) qktscdx 2008-07-03 2008-07-04 08:26:52 by cuihang
    [MS] 用Amorphous模拟退火过程总出错 (1/228) yijun0516 2008-07-03 2008-07-03 22:57:37 by acridine
    [MS] MS计算能带图分析 (1/509) qktscdx 2008-07-03 2008-07-03 21:58:05 by gkd_0000
    [MS] 【求助】好心人这个在MS怎么实现 (0/118) harry_ll8228 2008-07-03 2008-07-03 20:02:13 by harry_ll8228
    [MS] 求助：如何计算金属化合物的结合能，形成能？ (3/1167) anvier 2008-07-03 2008-07-03 16:47:52 by anvier
    【求助】castep做界面计算失败，帮忙看是什么问题 (7/675) 干冰388 2008-07-02 2008-07-03 16:38:46 by 干冰388
    [MS] 【求助】多晶的建模问题 (0/235) harry_ll8228 2008-07-03 2008-07-03 13:25:56 by harry_ll8228
    【求助】推荐期刊 (1/136) wuzhuanhua 2008-07-03 2008-07-03 11:05:34 by aylayl08
    [MS] 【求助】吸附计算中的吸附能和能隙问题 (0/150) goodman959 2008-07-03 2008-07-03 10:16:12 by goodman959
    [MS] [求助 】MS (3/130) smazz 2008-07-03 2008-07-03 09:44:42 by wuli8
    [MS] 【求助】在周期表面上吸附时，吸附位在晶胞的边上 (1/330) mengsk 2008-07-01 2008-07-02 22:09:29 by lightgjx
    [MS] 频率的计算求问 (3/232) liucaca 2008-07-02 2008-07-02 22:07:05 by liucaca
    [MS] [求助]请问有谁成功的用DMol3模块的TS-Opt优化周期性体系的过渡态？ (1/221) wexondft 2008-06-30 2008-07-02 21:57:27 by cmwangdft
    [Vasp&Me ] [求助]有人做由第一原理拟合EAM势的工作吗? (0/182) ustbmars 2008-07-02 2008-07-02 20:23:25 by ustbmars
    [MS] ms中怎么计算解离能量 (0/151) along1980 2008-07-02 2008-07-02 16:44:07 by along1980
    [MS] [求助]ms中dmol模块如何查看键能情况 (1/115) canbill 2008-07-01 2008-07-02 16:36:19 by along1980
    [MS] 【讨论】关于金属构建晶体结构的占有率问题    ( 1 2 ) (10/1024) anvier 2008-06-23 2008-07-02 15:32:55 by anvier
    [MS] 【求助】VAMP UV-Vis Spectrum 的图在origin里画出来 (1/159) leijunfeng 2008-06-27 2008-07-02 10:51:33 by leijunfeng
    [MS] 【求助】在origin里能画出VAMP里的uv-吸收谱吗？ 3 (1/112) leijunfeng 2008-06-29 2008-07-02 10:50:36 by leijunfeng
    [MS] MS建模问题 (0/197) monowolf 2008-07-01 2008-07-01 22:23:31 by monowolf
    [MS] castep能量计算 (1/185) szhuoxia 2008-07-01 2008-07-01 21:00:38 by acridine
    [MS] 【求助】计算失败，大家帮忙看看什么原因啊？ (7/664) zuozhijun5134 2008-06-27 2008-07-01 20:44:42 by wuli8
    [MS] 【求助】discover/forcite (0/128) harry_ll8228 2008-07-01 2008-07-01 20:33:44 by harry_ll8228
    [MS] 【求助】内聚能密度不能分析怎么回事 (4/396) zorro545 2008-06-27 2008-07-01 18:31:09 by zorro545
    [求助]VASP能量输出全是正值，奇怪！（奖励完成） (4/960) nature617 2008-06-20 2008-07-01 16:20:05 by chenweiguang
    [Vasp&Me ] 【求助】Segmentation fault when running a “Geometric optimization” job (0/109) idoldog 2008-07-01 2008-07-01 14:53:57 by idoldog
    [MS] 请教：纳米复合材料的建模 (0/112) leerien 2008-07-01 2008-07-01 11:44:34 by leerien
    [MS] MS晶体建模基本方法 好就给评价吧 (3/1408) xiangqi036 2008-05-08 2008-07-01 11:15:23 by csfn
    [MS] 【求助】有用MS里面MS. MesoPro模块的吗？ (0/159) 学员sWSmnu 2008-07-01 2008-07-01 11:09:22 by qq95436
    [求助]为什么弹性常数Cij会有较小的负值呢? (3/620) ustbmars 2008-06-27 2008-07-01 09:49:30 by cuihang
    [MS] [求助]CASTEP作几何优化，如何验证minimium (4/435) mengsk 2008-06-30 2008-07-01 00:18:35 by beefly
    [Vasp&Me ] [求助] 用惯用单胞和初基原胞计算的弹性常数Cij不一致 (0/215) ustbmars 2008-06-30 2008-06-30 23:59:42 by ustbmars
    【求助】MS表面能的计算 (7/1681) monowolf 2008-06-23 2008-06-30 20:40:15 by wangqj1
    [Vasp&Me ] 【求助】求vasp之PAW赝势包 (1/336) sw-2384 2008-04-17 2008-06-30 19:51:17 by mermaid1128
    [求助] paw赝势LDA和GGA关系如何，有什么区别我们应该选取那一种？ (6/1219) liuying287 2008-04-21 2008-06-30 19:50:23 by mermaid1128
    [求助]请教并行计算问题 (3/366) hufeng 2008-05-04 2008-06-30 19:49:02 by mermaid1128
    【求助】电荷差分密度 (6/440) 066040223 2008-06-25 2008-06-30 17:46:28 by 066040223
    [MS] 求助：MS 4.2的中文使用说明 5 (0/242) susielan 2008-06-30 2008-06-30 10:40:55 by susielan
    [MS] 计算机模拟中腐蚀产物的量如何测量 (评阅-2) (0/64) liangjianneng 2008-06-30 2008-06-30 09:37:18 by liangjianneng
    [MS] 【求助】有谁用过Reflex Powder diffraction？！ (9/1076) crante 2008-03-11 2008-06-30 01:11:44 by fj_blueice
    [MS] 【转载】MS晶体建模基本方法 (4/974) gkd_0000 2008-06-29 2008-06-30 00:41:18 by 我心向佛
    [MS] [求助] 应力，应变数据的处理问题 (1/205) harry_ll8228 2008-06-29 2008-06-29 23:18:16 by acridine
    [MS] 关于覆盖度的问题 (评阅-2) (4/725) oulihui666 2007-12-04 2008-06-29 19:57:06 by hdh912
    [求助]为什么vasp源程序中，一个程序会有两个版本*.F和*.f90? (2/176) dirtor 2008-06-29 2008-06-29 15:37:44 by dirtor
    【求助】DMOL3计算小分子吸附 (3/689) Tina787 2008-06-08 2008-06-29 11:05:37 by goodman959
    【求助】linux 下 ms4.2 不能并行 2 (2/164) knight-kill 2008-06-24 2008-06-29 10:48:05 by lisa837
    [MS] [求助]搜索过渡态出错 (1/515) smazz 2008-06-14 2008-06-29 10:43:29 by goodman959
    [MS] 服务器计算ms有优势么？高人请进 (评阅-2) (4/564) easim 2008-02-21 2008-06-29 10:40:46 by lisa837
    [MS] [讨论]Material Studio中构建合金结构或掺杂结构模型 (5/2295) hityanyan 2008-05-29 2008-06-29 10:33:53 by nextnest
    【求助】Materials-Studio在windows下能否并行计算？    ( 1 2 3 ) (21/2778) ems 2008-05-11 2008-06-29 10:17:37 by lisa837
    [MS] 【求助】请教MS计算中出现的问题 (5/442) 小丑鱼337 2008-06-27 2008-06-28 18:53:05 by acridine
    [MS] [求助] 这个在castep或discover中如何实现 (2/119) zplmff 2008-06-27 2008-06-28 16:59:40 by zplmff
    [MS] Materials-Studio软件简介 (评阅+1) (7/4385) spur 2007-12-03 2008-06-28 13:28:28 by 77585218358
    [MS] 【求助】Brich–Murnaghan’s equation of state(B–M EOS)拟合V–E curves 曲线 (4/470) lyanmin1112 2008-06-27 2008-06-28 10:14:28 by lyanmin1112
    [MS] 【求助】无法建立castep工作，无法连接gateway (0/90) briefshao 2008-06-28 2008-06-28 01:56:49 by briefshao
    【求助】MS安装问题（已完成） 1 (1/187) wanshidaji 2008-06-27 2008-06-27 12:28:59 by yitahutu
    【求助】MS总是自动关闭网关！ (6/520) sunkiller 2008-06-26 2008-06-27 11:33:22 by zdhlover
    [MS] 【求助】Castep能量的问题 (1/180) acridine 2008-06-27 2008-06-27 11:15:07 by gkd_0000
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