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    [热点] 投稿精细化工 huashmo 2025-12-17 刚刚
    [MS] [ 求助]什么是收光谱带边，怎样求收光谱带边？    ( 1 2 ) (10/678) wuli8 2008-09-13 2008-09-17 11:38:56 by wuli8
    [MS] [求助]画电荷密度图 (3/392) s638638 2008-09-16 2008-09-17 10:19:45 by hopingzmn
    [MS] 建了一个MS群68435997，欢迎相关人员加入哈！ (0/67) jiawdd 2008-09-16 2008-09-16 22:43:31 by jiawdd
    [Vasp&Me ] [求助]vasp如何计算材料的弹性常数 (0/241) mermaid1128 2008-09-16 2008-09-16 21:33:18 by mermaid1128
    [MS] 【求助】castep能进行过渡态验证吗？ (0/144) mengsk 2008-09-16 2008-09-16 17:51:08 by mengsk
    [MS] 【求助】关于pressure tail correction (0/96) yuerainsea 2008-09-16 2008-09-16 11:49:41 by yuerainsea
    [MS] 【求助】谁能解答这个MS使用中问题？-愿付现金求解 (1/217) solarman 2008-09-14 2008-09-16 11:30:26 by philonb
    【求助】大家都用什么版本的linux系统来算 (8/527) 52nana 2008-09-10 2008-09-16 11:10:47 by spkeey
    【求助】二氧化锡的体结构 (2/235) effi903 2008-09-12 2008-09-16 09:36:33 by zoujuanzi
    [求助]不知为什么VASP停下来？ (8/729) hufeng 2008-09-12 2008-09-16 08:55:35 by hufeng
    [MS] [求助]菜鸟提问:怎么建立纳米多晶啊? (2/162) benbei626825 2008-09-09 2008-09-15 20:21:39 by zplmff
    [Vasp&Me ] 【求助】VASP (1/189) tsb1980 2008-09-06 2008-09-15 13:09:57 by hakuna
    [MS] MS4.3 for windows 带License (6/703) lwjonly 2008-09-12 2008-09-15 07:32:45 by lightgjx
    【求助】Geometry optimization的问题 (6/1305) raul0716 2008-04-07 2008-09-14 13:35:35 by h1h2x3
    [MS] 【求助】MS服务器并行的问题    ( 1 2 ) 7 (12/955) raul0716 2008-07-18 2008-09-14 13:28:50 by h1h2x3
    [MS] 【求助】ms里面的discover并行的最多个数 (0/101) h1h2x3 2008-09-14 2008-09-14 13:22:55 by h1h2x3
    【求助】转换不同版本ms的输入文件 (4/415) h1h2x3 2008-09-03 2008-09-14 13:18:38 by h1h2x3
    [MS] 【求助】在MS中计算内聚能 (3/1140) jieweiwei 2008-09-03 2008-09-14 13:11:02 by h1h2x3
    【求助】linux 下的ms (4/293) h1h2x3 2008-09-11 2008-09-14 11:42:17 by h1h2x3
    [MS] 【求助】Amorphous Cell 不能运行，如何解决？？ (1/178) huaxingjin 2008-09-12 2008-09-14 11:34:49 by h1h2x3
    [MS] 【求助】为什么调节视角的几个工具按键都没有作用呢？ (0/59) chris751 2008-09-14 2008-09-14 09:01:49 by chris751
    [MS] 建了一个MS群68435997，欢迎相关人员加入哈！ (0/55) jiawdd 2008-09-13 2008-09-13 22:38:10 by jiawdd
    [求助]FeF3的原子坐标和晶体结构 (2/280) hpcqq 2008-09-07 2008-09-13 14:10:59 by wuxinxing1
    [MS] 【求助】悬赏求助关于用MS-CASTEP计算晶体结构！ 22 (9/816) xiesanshao 2008-09-10 2008-09-13 12:34:10 by wuli8
    [MS] 【求助】MS可不可以多台机子做并行计算？ (4/685) TYHB 2008-05-21 2008-09-13 12:13:14 by 刘成建
    [MS] 在castep中的赝式问题 (金币≥5)(0/44) xczhou2008 2008-09-12 2008-09-12 19:35:03 by xczhou2008
    [Vasp&Me ] 求助：扩散系数 (0/125) gfei2008 2008-09-12 2008-09-12 12:40:59 by gfei2008
    [MS] 【求助】DPD过程 (2/228) liujie5631 2008-09-11 2008-09-12 11:59:03 by liujie5631
    [MS] 计算服务求助 (评阅-2) (3/163) pepahuang 2008-09-07 2008-09-12 11:47:55 by q68
    【求助】MM或MD能否算自由能？ (2/371) ems 2008-09-10 2008-09-12 10:47:28 by jieweiwei
    [求助]vasp中势函数的选择？ (2/356) leongxf 2008-09-11 2008-09-11 20:37:34 by jghe
    [MS] 【求助】弱弱的问个问题 (2/167) bio-polymer 2008-09-11 2008-09-11 20:35:40 by jghe
    [Vasp&Me ] 【求助】小原子pdos的计算 (1/166) yinwei_li 2008-08-25 2008-09-11 19:23:11 by hakuna
    [Vasp&Me ] 【求助】扩散中的频率怎样算？ (0/91) gfei2008 2008-09-11 2008-09-11 10:27:31 by gfei2008
    [MS] 【讨论】初学者，请教切面的问题 (2/145) zoujuanzi 2008-09-10 2008-09-11 09:29:34 by philonb
    [Vasp&Me ] 【求助】INCAR文件中BMIX表示是什么意思？ (1/271) lly2006 2008-09-10 2008-09-11 09:05:58 by lly2006
    [MS] 【求助】MS做弹性常数计算 (3/568) wyez 2008-09-10 2008-09-11 08:39:10 by wyez
    [MS] 【求助】遗传算法 (3/332) effi903 2008-09-09 2008-09-11 08:12:26 by niliu
    [MS] 【求助】服务器其他节点上MS计算的问题 9 (6/484) raul0716 2008-07-18 2008-09-11 07:17:43 by zhfuchun
    [MS] 【求助】Spin设置 (0/369) benzscu 2008-09-10 2008-09-10 23:04:04 by benzscu
    【求助】搞计算需要的服务器的配置的意见 (9/663) zdhlover 2008-09-03 2008-09-10 20:24:22 by hakuna
    【求助】MS4.3和MS4.2相比优点有哪些？ (7/607) xiaowandouer 2008-09-08 2008-09-10 20:12:31 by xiaowandouer
    [MS] 求助 (评阅-2) (金币≥2)(0/27) dyp2009 2008-09-10 2008-09-10 18:57:48 by dyp2009
    【求助】Gateway (3/537) effi903 2008-09-09 2008-09-10 18:06:35 by philonb
    [MS] 【求助】vibrational free energy 和 free energy 有啥区别？ (0/85) ems 2008-09-10 2008-09-10 11:32:24 by ems
    【求助】VASP程序如何计算体系的电荷转移情况 (8/881) 冻冻2007 2008-09-07 2008-09-10 08:53:52 by spur
    [Vasp&Me ] 【求助】收敛问题 (4/349) suncc311 2008-07-28 2008-09-10 01:05:54 by alick1102
    【求助】VASP中关于ENCUT的测试问题 (7/779) 冻冻2007 2008-09-02 2008-09-10 00:55:55 by alick1102
    [Vasp&Me ] 您好，我想问问一个计算问题 (评阅-2) (1/151) wqg1806 2008-09-09 2008-09-10 00:47:39 by alick1102
    [MS] 建了一个MS群68435997，欢迎相关人员加入哈！ (1/88) jiawdd 2008-09-09 2008-09-09 23:52:13 by kuner
    [MS] 【求助】BTCL编程求助 (1/117) tttl060 2008-09-08 2008-09-09 16:55:01 by lionshu
    [MS] 请问装过MS43的高手 5 (评阅-2) (1/153) xia_hou 2008-09-09 2008-09-09 11:27:15 by philonb
    [MS] 请问点阵常数与计算量之间的关系 (评阅-2) (0/94) digghost 2008-09-09 2008-09-09 10:08:04 by digghost
    [MS] 【求助】纳米杆建模求助 ！ (1/114) lgn2571 2008-09-08 2008-09-08 22:03:58 by lgn2571
    【求助】什么时候需要考虑LDA+U? (5/632) jghe 2008-09-04 2008-09-08 21:00:57 by jghe
    [MS] 【求助】linux下安装ms时网关无法开启 (1/157) xiaowandouer 2008-09-08 2008-09-08 14:43:07 by xiaowandouer
    [MS] 【求助】MS找过度态，消虚频 2 (4/640) mengsk 2008-08-19 2008-09-08 12:36:47 by lingchiyu
    [MS] [求助]CASTEP开始运行后出现问题了，求助 2 (5/510) pepahuang 2008-09-05 2008-09-07 21:54:10 by pepahuang
    [MS] 【求助】Cr7C3的原子坐标 (6/439) rainisflying 2008-08-20 2008-09-07 20:56:11 by hpcqq
    [MS] 长时间计算中途需要停电的解决方案 (评阅+2) (2/216) canbill 2008-09-06 2008-09-07 18:50:12 by simone389
    【求助】AlN的原子坐标    ( 1 2 ) (11/999) liluyan 2008-09-01 2008-09-07 15:17:45 by jieweiwei
    [MS] [关贴]【求助】搞材料计算就业咋样啊？    ( 1 2 ) (17/1263) carlaty 2008-08-31 2008-09-07 14:26:38 by yyx19840628
    [MS] conformer tools 请教 (评阅-2) (0/83) fairytale9687 2008-09-07 2008-09-07 12:55:38 by fairytale9687
    【求助】VASP中SIGMA测试标准 (3/1306) 冻冻2007 2008-09-03 2008-09-07 09:54:15 by 冻冻2007
    [MS] 【求助】共吸附与反应 (3/333) 深蓝海282 2008-09-05 2008-09-07 08:16:13 by 深蓝海282
    [MS] 【求助】在晶格中移动分子 (0/92) zsyf 2008-09-06 2008-09-06 17:17:15 by zsyf
    [MS] 【求助】 dmol计算速度优化 (1/221) zjuer 2008-09-06 2008-09-06 15:40:56 by philonb
    [MS] 建了一个MS-DMol3群68435997，欢迎相关人员加入哈！ (0/85) jiawdd 2008-09-06 2008-09-06 12:08:50 by jiawdd
    【求助】Materiasl-Studio中怎样计算原子间的距离分布（distance distribution) (6/570) congmingbing 2008-09-05 2008-09-06 08:55:27 by congmingbing
    【求助】利用 CASTEP可以算CeO2的能带，态密度吗？ (6/486) lzb11123 2008-09-03 2008-09-06 04:40:51 by whf_robert
    【求助】关于COMPASS力场的问题 (2/380) savagefly 2008-09-05 2008-09-05 23:17:36 by yalefield
    【讨论】ms 不同文件中的基矢和原子坐标为什么不同？ (5/742) nodding 2008-05-23 2008-09-05 20:22:45 by wangqj1
    [MS] 【求助】盼高人指点 (1/153) tttl060 2008-09-05 2008-09-05 19:37:56 by aylayl08
    [Vasp&Me ] 【求助】NiO的计算模型 28 (1/184) zhougc 2008-09-05 2008-09-05 14:34:15 by dwma
    [MS] [求助]关于ewald加和法的评审意见 (2/161) yuerainsea 2008-09-04 2008-09-05 14:28:52 by yuerainsea
    [MS] 【求助】介观模拟 (0/128) liujie5631 2008-09-05 2008-09-05 12:14:13 by liujie5631
    [MS] 【求助】关于不同温度下的反应机理 (0/121) lingchiyu 2008-09-05 2008-09-05 10:43:59 by lingchiyu
    [Vasp&Me ] 【求助】vasp中NEB计算问题 (1/413) q68 2008-08-23 2008-09-05 10:07:52 by alick1102
    [求助]N原子的能量 (9/522) chemofish 2008-04-15 2008-09-05 10:04:13 by alick1102
    【求助】关于xrd 模拟,评审意见 (5/500) yuerainsea 2008-09-03 2008-09-05 09:58:53 by lei0736
    【求助】MS计算如何发文章 (4/716) qx0813 2008-09-04 2008-09-05 09:13:26 by qx0813
    [MS] 【求助】MS中blend模块模拟离子表面活性剂 (0/160) huaxingjin 2008-09-04 2008-09-04 23:53:56 by huaxingjin
    [MS] 【求助】计算超原胞模型的能带时线太多怎么办？ (2/115) idoldog 2008-09-04 2008-09-04 21:33:39 by idoldog
    【求助】搞计算需要的电脑的配置    ( 1 2 ) (15/969) qx0813 2008-09-02 2008-09-04 21:09:58 by liboyang
    【求助】什么是T4位，什么是H3位 (3/470) sunyongcan 2008-09-03 2008-09-04 20:13:15 by hgye
    [MS] [求助]Materiasl-Studio中怎样计算原子间的距离分布（distance distribution)    ( 1 2 ) (10/895) congmingbing 2008-09-04 2008-09-04 19:25:37 by congmingbing
    【求助】用CASTEP作计算时,都用什么收敛标准? (4/489) mengsk 2008-08-15 2008-09-04 17:15:14 by 77585218358
    【求助】用CASTEP优化表面报错，该如何处理？ (5/269) hhy_china 2008-08-13 2008-09-04 17:14:06 by 77585218358
    [MS] [求助]ms模拟出来为什么泊松比会为负值 (0/162) yuerainsea 2008-09-04 2008-09-04 17:06:34 by yuerainsea
    [MS] [求助]怎样在MS中建立SiC,Si3N4等无机物无定型结构的模型? (6/1198) tykd 2008-09-03 2008-09-04 15:25:23 by tykd
    [MS] 求救：DMOL找过渡态总出现距离太小问题 (1/302) lingchiyu 2008-09-04 2008-09-04 15:05:08 by lingchiyu
    [MS] [求助] 分子筛的密度数据 (0/67) raul0716 2008-09-04 2008-09-04 14:53:06 by raul0716
    【求助】Amorphous cell中在计算RDF时如何选定原子或分子呢？ (1/242) xmuyjm 2008-09-03 2008-09-04 13:18:57 by saitou
    [MS] 建了一个MS-DMol3群68435997，欢迎相关人员加入哈！ (0/72) jiawdd 2008-09-04 2008-09-04 12:48:58 by jiawdd
    [MS] [求助] 动力学模拟计算结合能的问题 (0/144) chunwang 2008-09-04 2008-09-04 09:55:22 by chunwang
    [MS] 【求助】电子局域函数 (0/139) jieweiwei 2008-09-04 2008-09-04 08:59:57 by jieweiwei
    【求助】哪位大哥有SiO2 的结构参数 告诉小弟下 10222183@163.com (4/595) dingtoushangsi 2008-09-04 2008-09-04 08:49:40 by zzgyb
    [MS] 【求助】单机计算MS（20金币） (5/478) james_liu 2008-09-03 2008-09-04 08:44:15 by xczhou2008
    [Vasp&Me ] 【求助】WARNING: random wavefunctions but no delay ... ... (2/997) yan_lee 2008-09-01 2008-09-03 22:20:17 by yan_lee
    [MS] 【求助】CASTEP计算弹性模量问题－很怪异 (0/180) benzscu 2008-09-03 2008-09-03 21:21:51 by benzscu
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