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[热点] 遇见不省心的家人很难过 otani 2026-02-09 刚刚
[MS] [已完结]求助一个带有真空层盒子的建立问题…… (5/1513) pudding93 2011-09-14 2011-09-16 16:04:49 by pudding93
[MS] [关贴]【求助】如何理论计算晶体的自由体积？ (3/1091) tandz 2010-05-26 2011-09-16 15:18:26 by zkdanny
[MS] 关于费米能级    ( 1 2 ) (1ST强帖+1)(14/3445) fagege2010 2011-05-16 2011-09-16 10:37:57 by gougou531
[MS] [已完结]attachment energies 请教 (0/244) ltp2011 2011-09-16 2011-09-16 10:22:59 by ltp2011
[MS] [已完结]如何在Blends中调用Amber力场？ (1/280) jolly1987 2011-09-15 2011-09-16 08:03:20 by jolly1987
[MS] [已完结]MS每天都要卸了再装 (9/869) 李翔1986 2011-07-21 2011-09-15 21:34:07 by cocolv
[MS] [已完结]MS 中的收敛精度 (0/1451) juty136 2011-09-15 2011-09-15 15:12:48 by juty136
[MS] [已完结]dmol在对晶胞参数进行优化时是否应该固定晶胞角度（fix angles）    ( 1 2 ) (12/2270) dingniu2 2011-09-11 2011-09-15 08:41:35 by dingniu2
[MS] [已完结]关于电荷密度图绘制的问题 (4/1228) x163_yu 2011-06-22 2011-09-15 08:29:38 by guolianshun
[MS] [已完结]构型建造求助！    ( 1 2 ) (10/1143) aa644387857 2011-08-30 2011-09-15 08:22:16 by aa644387857
[MS] [已完结]Castep计算晶胞红外谱问题 (3/852) zhanping 2011-09-14 2011-09-15 00:09:55 by zhanping
[MS] [已完结]请问大家用castep算红外的K-points的设置 (0/243) shuo2008 2011-09-15 2011-09-15 00:06:04 by shuo2008
[MS] [已完结]CASTEP计算问题 (1/495) lavinia 2011-09-14 2011-09-14 22:14:01 by 1006094470
[MS] [已完结]如何加压 (0/737) 李佳佳佳 2011-09-14 2011-09-14 21:30:18 by 李佳佳佳
[MS] [已完结]富氧情况下的形成能如何计算？    ( 1 2 ) (15/2533) freshman8185 2011-09-03 2011-09-14 21:22:13 by freshman8185
[MS] 如何用MS构建反尖晶石结构ZnFe2O4. (0/312) lywhit 2011-09-14 2011-09-14 18:18:10 by lywhit
[MS] 【求助】dmol 中Overlap Matrix结果分析 (3/741) 278036903 2010-07-12 2011-09-14 16:59:56 by earthwater
[MS] [已完结]运用高对称性做掺杂 (2/416) 飘在空中的雨 2011-08-28 2011-09-14 16:57:13 by guolianshun
[MS] [已完结]求助ms计算天冬氨酸的晶格能，100金币送上 (1/340) speio 2011-09-13 2011-09-14 10:57:01 by coella
[MS] 【其他】有没有用MS计算ZnS团簇的 (1/573) jieweiwei 2010-06-06 2011-09-14 10:36:41 by zsl_321123
[MS] [已完结]ms老自行停止 (2/252) bubuweiying 2011-09-13 2011-09-13 20:32:46 by xujc1983
[MS] [已完结]3万硬件，采用MS计算，如何选？ (2/298) parafac09 2011-09-13 2011-09-13 14:20:43 by lbambool
[MS] 有实验坐标还要优化结构吗 (5/559) scq123 2011-09-09 2011-09-13 08:32:31 by scq123
[MS] [已完结]DMol3计算完后怎么求电子密度值 (1/582) 剑魄诗魂 2011-05-20 2011-09-12 16:45:57 by guolianshun
[MS] 【求助】我用MS做出来的电子密度图，我想在上面加上坐标    ( 1 2 ) (10/1484) liu852388 2009-10-11 2011-09-12 16:12:05 by guolianshun
[MS] [已完结]MS软件Fe的奥氏体 (1/382) luoluoasdf 2011-09-07 2011-09-12 13:05:39 by jphuang_63
[MS] CASTEP存出的Pbnm CIF文件Vesta2.1.4显示错误解决方法 (0/346) babaleo 2011-09-12 2011-09-12 11:32:59 by babaleo
[MS] 【求助】关于电子密度图或差分密度图 (4/1247) clap_pl 2011-01-04 2011-09-12 11:14:02 by guolianshun
[MS] [已完结]castep分析光学性质时：光吸收图中怎么把横坐标的能量单位换成是常用的波长单位nm    ( 1 2 ) (11/3399) liuy1235 2011-06-25 2011-09-12 10:06:54 by guolianshun
[MS] [已完结]castep可以计算raman谱吗？ (1/341) Excaliburn 2011-08-30 2011-09-12 00:39:51 by leili
[MS] [已完结]Materials studio 5.0的license问题 (0/943) vallen 2011-09-11 2011-09-11 21:15:59 by vallen
[MS] 关于压力下Mulliken电荷的反向转移! (3/1080) Akuang 2011-09-11 2011-09-11 18:43:49 by hakuna
[MS] [已完结]光学设置或者分析问题 (4/828) hbcsucy 2011-06-18 2011-09-11 16:57:07 by guolianshun
[MS] [已完结]用Castep软件计算出来的性质是体材料的还是纳米晶的 (7/651) apple183 2011-08-16 2011-09-11 16:35:55 by guolianshun
[MS] [已完结]ms 5.0及licence 第三次求助了 求围观！求给力！ (4/859) 沐浴晨光_7月 2011-09-07 2011-09-10 21:41:46 by 沐浴晨光_7月
[MS] [已完结]Linux 系统 DMol提交任务 (2/1135) yshl7237 2011-09-08 2011-09-10 17:21:58 by lonewolf659
[MS] [已完结]紧急求助关于相对能 (3/394) convenient 2011-09-08 2011-09-10 15:57:48 by hgye
[MS] [已完结]支持MS的系统 (3/507) yoyo103108 2011-07-17 2011-09-10 09:58:52 by bubuweiying
[MS] MS5.0 哪个是算布居数的呢？ (0/879) shshshuang 2011-09-10 2011-09-10 09:39:35 by shshshuang
[MS] [已完结]关于MS安装问题 (2/297) 444239852 2011-09-09 2011-09-09 21:00:18 by 444239852
[MS] [已完结]Materials Studio 怎么改 gateway 端口？ (0/2743) redsnowolf 2011-09-09 2011-09-09 18:40:12 by redsnowolf
[MS] [已完结]如何查找Material studio 中的运行错误 (1/685) fyh987 2011-09-09 2011-09-09 11:30:58 by luobenhua
[MS] [已完结]能不能几个核并行同时处理同一问题？？ (6/623) shshshuang 2011-09-06 2011-09-09 11:00:39 by donghai
[MS] [已完结]掺杂 (7/1701) Andyzd 2011-05-18 2011-09-09 10:17:28 by fyh987
[MS] [已完结]CeO2（111）面建模 (4/730) lgxyz 2011-09-07 2011-09-09 10:07:36 by lgxyz
[MS] [已完结]压电性 (6/1656) Andyzd 2011-05-25 2011-09-09 10:00:10 by 贺仪
[MS] 【求助】用DFT-D算法不能优化分子的几何结构啊，不知道哪里出错了呢 (5/2334) xiaocuicui 2011-03-11 2011-09-08 20:19:13 by qi-cheng
[MS] [已完结]demol3 中 键能问题 (0/304) 低碳达人 2011-09-08 2011-09-08 19:35:16 by 低碳达人
[MS] [已完结]castep掺杂问题 (3/1347) fyh987 2011-09-08 2011-09-08 16:33:33 by fyh987
[MS] [已完结]态密度分析 (0/335) xuelian172 2011-09-08 2011-09-08 14:51:51 by xuelian172
[MS] ms赝势交流 (3/883) nwx_ky 2011-09-08 2011-09-08 14:37:17 by xiaocui1987
[MS] [已完结]求助：In2O3 结构和温度的对应关系，或是相图 (0/360) coffey7835 2011-09-08 2011-09-08 10:36:42 by coffey7835
[MS] [已完结]如何改变原字颜色或画空心原子 (4/1073) wtianxing 2011-08-30 2011-09-08 10:16:17 by sunjingxue
[MS] [已完结]钛酸镧 (1/316) Andyzd 2011-09-08 2011-09-08 09:06:49 by youzhizhe
[MS] [已完结]计算结果出问题 (2/254) txf10 2011-09-04 2011-09-08 08:38:12 by txf10
[MS] [已完结]dmol选择优化胞后 晶胞角度发生变化 (5/769) dingniu2 2011-09-07 2011-09-07 22:49:46 by 贺仪
[MS] 【求助】ms计算丁烷的密度 (3/422) weiyan887 2011-01-17 2011-09-07 22:08:50 by wpx890210
[MS] [已完结]用dmol怎样计算bond orders？ (0/303) det_love 2011-09-07 2011-09-07 22:04:46 by det_love
[MS] [已完结]MS运行出错！ 感谢围观！！！！（标题要长~~~~~~~~~~~~~~ ） (2/238) shshshuang 2011-09-07 2011-09-07 19:48:20 by amition
[MS] ms服务器计算的时候，只要涉及力场的都不能计算 (3/418) 贺仪 2011-09-07 2011-09-07 16:58:29 by zzzs123456
[MS] [已完结]dmol动力学中热浴的选择 (2/568) dingniu2 2011-09-07 2011-09-07 14:38:01 by dingniu2
[MS] 【求助】有人用Dmol3做过第一性原理分子动力学吗 (9/2671) chimegreen 2010-10-21 2011-09-07 09:58:20 by xujc1983
[MS] [已完结]结构优化过程中发现高压下晶体结构的对称性发生了改变，怎么回事？是发生了相变吗？ (3/1292) wy2008szy 2011-09-06 2011-09-07 09:47:04 by xujc1983
[MS] [已完结]mpid: MPI BUG: mpid lost connection to mpirun: exiting 是什么错误啊？ (1/852) freshman8185 2011-09-07 2011-09-07 09:41:29 by xujc1983
[MS] [已完结]如何把MS的xsd格式文件，导出为带有笛卡尔坐标的文件 (1/1177) 1006094470 2011-09-06 2011-09-06 22:53:52 by zjuer
[MS] [已完结]在LINUX系统中如何提交CASTEP任务 (0/609) lirui1029 2011-09-06 2011-09-06 16:38:33 by lirui1029
[MS] [已完结]如何引用他人文献中的图，与自己的图作比较？ (1/2942) nihao000 2011-09-06 2011-09-06 10:18:23 by xujc1983
[MS] [已完结]MS4.3中的Dmol能计算功函数吗？ (3/504) michael1883 2011-09-01 2011-09-06 09:14:38 by nwx_ky
[MS] [已完结]相变压力(求助成功) (0/272) hecking 2011-09-06 2011-09-06 08:37:18 by hecking
[MS] [已完结]用MS算的吸附能大概在什么数量级？ (5/978) 1006094470 2011-09-04 2011-09-06 00:23:33 by duyujie442
[MS] [已完结]半导体价带顶能级 (2/307) sss3012 2011-09-04 2011-09-05 16:05:47 by sss3012
[MS] [已完结]dmol优化构型时遇到的报错，希望高人解答。    ( 1 2 ) (11/1323) wrs213 2011-08-09 2011-09-05 15:56:23 by wrs213
[MS] [已完结]MS做pair correlation function时出错，求解决 (1/297) lianglinlin 2011-06-01 2011-09-05 15:22:05 by youjie-888
[MS] [已完结]一句话怎么修改！谢谢！ (4/436) xuelian172 2011-09-04 2011-09-05 15:10:49 by xuelian172
[MS] 服务器另外安装MS需要注意哪些？ (1ST强帖+1)(5/698) scq123 2011-09-02 2011-09-05 13:49:32 by scq123
[MS] [已完结]pbs提交 castep的问题 (0/235) coy123 2011-09-05 2011-09-05 11:51:41 by coy123
[MS] [已完结]混合占位怎么算 (0/250) mulibin 2011-09-05 2011-09-05 10:00:23 by mulibin
[MS] [已完结]怎样查看计算剩余时间呢？？ (4/1713) shshshuang 2011-09-03 2011-09-04 16:42:02 by shshshuang
[MS] [已完结][关贴]MS优化过程中，基线不跑了。 (2/380) guolianshun 2011-09-03 2011-09-04 11:43:18 by guolianshun
[MS] MS不能计算，求高手指点 (5/1156) fangwangzz 2011-08-27 2011-09-04 08:42:48 by qiudong1009
[MS] 计算成功，但是有一个提示是什么意思？ (0/580) zdsk 2011-09-03 2011-09-03 21:50:37 by zdsk
[MS] 【求助】在MS中如何进行STM模拟 (5/1870) a1597916 2010-04-25 2011-09-03 15:55:59 by 顺水
[MS] [已完结]关于高对称性和P1对称性 (5/2777) 飘在空中的雨 2011-08-30 2011-09-03 00:19:43 by Toapollo
[MS] [已完结]MS计算中遇到原子部分占据的情况该如何处理 (7/2397) mazuju028 2011-08-29 2011-09-02 20:18:22 by lindlar0078
[MS] [已完结]MS如何实现远程操作？ (2/487) freshman8185 2011-09-01 2011-09-02 18:28:46 by freshman8185
[MS] [已完结]求助有机物分子晶体5CB的原子坐标 (2/464) 花满阁楼 2011-09-01 2011-09-02 15:35:20 by 贺仪
[MS] [已完结][关贴]MS 5.5 linux版本 (2/339) dgcrcat 2011-08-31 2011-09-01 18:13:41 by slz0811
[MS] [已完结]关于分子在表面模拟的若干问题    ( 1 2 ) (10/2053) zhxbaig 2011-08-29 2011-09-01 16:27:58 by zhxbaig
[MS] [已完结]求Y2SiO5结构的原子坐标 (2/340) dujunhui 2011-09-01 2011-09-01 15:21:36 by dujunhui
[MS] 形成能计算中化学势的问题，四元化合物的化学势该怎么确定？ (1/1175) 风萧萧栖 2011-08-31 2011-08-31 19:08:52 by awmc2008
[MS] 求助,CASTEP计算出错 (2/313) zdsk 2011-08-30 2011-08-31 10:38:39 by zdsk
[MS] [关贴]低成本硅溶胶型内墙涂料的研制 (0/189) fuelcell68 2011-08-30 2011-08-30 15:26:22 by fuelcell68
[MS] 删除MS5.5，装了现在的MS5.0，my computer test失败，请各位高手相救 (1/297) fangwangzz 2011-08-29 2011-08-30 12:27:27 by zzy870720z
[MS] [已完结]MS55集群安装出错 (2/521) akun22951 2011-08-28 2011-08-30 12:26:32 by zzy870720z
[MS] converting to higher synnetry will significantly ...... (1/1389) 飘在空中的雨 2011-08-29 2011-08-30 12:01:54 by zzy870720z
[MS] [已完结]【求助成功】氧分子晶体计算 (7/1257) QuenZ 2011-08-27 2011-08-30 11:38:49 by QuenZ
[MS] [已完结]dmol优化频率问题 (5/1379) vv_tian78 2011-08-08 2011-08-30 09:02:08 by zengfp_buct
[MS] [已完结]高对称性时，TiO2 的 DOS 导带劈裂 ; P1对称性时 TiO2 的 DOS 导带不劈裂 (6/1657) 飘在空中的雨 2011-08-28 2011-08-29 22:43:51 by acridine
[MS] 请问大家Cij都是在哪里找到的？ (1/863) iamkz 2011-08-29 2011-08-29 17:00:24 by 贺仪
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