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[热点] 博士读完未来一定会好吗 stryry 2025-12-17 刚刚
[QE(Pwsc ] 【求助】求助QUANTUM-ESPRESSO的使用说明 (6/3037) 学员UKbkc5 2010-07-07 2010-07-19 16:25:01 by 锐利的碎片
[Vasp&Me ] 【求助】再问购买VASP问题,非常感谢 (1/487) wnn5195 2010-07-18 2010-07-19 15:23:54 by enola
[MS] 【求助】如何将.cell文件导入ms,并生成立体图?? (1/493) TYHB 2010-07-19 2010-07-19 15:15:19 by sjzxbe
[MS] 【求助】Dmol中怎样在后续计算中使用guess=read读初始猜测. (1/864) liuzlin 2010-07-18 2010-07-19 11:12:44 by yjmaxpayne
[MS] 【求助】模型对称性 (3/670) 眉峰 2010-07-18 2010-07-19 11:11:55 by 眉峰
[MS] 【求助】ms中模拟退火一直失败 (4/1321) zhongying111 2010-07-11 2010-07-19 10:51:50 by yjmaxpayne
[MS] 【求助】请问在Dmol里面运算生成的chk文件在那里可以找到? (1/185) liuzlin 2010-07-19 2010-07-19 10:44:46 by yjmaxpayne
[MS] 【求助】怎么去建立一个MS中没有的结构? (4/824) zhaowh1987 2010-07-18 2010-07-19 10:35:20 by yjmaxpayne
[MS] 【求助】BTO禁带宽度 (3/498) 霍萌 2010-07-17 2010-07-19 09:39:53 by s20080718
[MS] 【求助】MS中空间群的选择?? (3/1549) clszxh02 2010-07-18 2010-07-19 09:24:58 by condensed
[MS] 【求助】安装ms 5.0的时候licence test 错误,请问为什么? (1/326) Excaliburn 2010-07-18 2010-07-19 09:13:10 by 眉峰
[Siesta& ] 【求助】求助调用ATK (1/277) maomao-666 2010-07-18 2010-07-19 07:56:04 by xhsh
[QE(Pwsc ] 【求助】生成赝势 (4/1110) 子虚乌有5388 2010-06-28 2010-07-18 21:27:36 by lono75
[MS] 【求助】CASTEP计算完成后尽然还有点问题。。。 (2/349) freshman8185 2010-07-18 2010-07-18 18:03:58 by zzy870720z
[MS] 【求助】phonon band structure在MS4.0中计算应如何设置 (0/411) wzh上善若水 2010-07-15 2010-07-18 18:01:05 by wzh上善若水
[Vasp&Me ] 【求助】纳米管的优化问题 (3/386) sduliu 2010-07-18 2010-07-18 17:35:56 by sduliu
[MS] 【求助】如何用castep处理铁电材料的几何优化 (1/470) byin 2010-07-18 2010-07-18 12:42:02 by lfhuang
[MS] 【求助】键能 (2/301) 学员NnOUhz 2010-07-16 2010-07-17 22:34:34 by 石油黑人
[Vasp&Me ] 【求助】VASP中带隙如何计算 (3/2514) jinhuan123 2010-07-17 2010-07-17 21:27:08 by cenwanglai
[MS] 【求助】Castep的运行问题 (1/221) 05111034 2010-07-14 2010-07-17 20:53:11 by cenwanglai
[其他] 【求助成功】请教吸附位的名称 (7/808) feass2 2010-07-17 2010-07-17 19:47:57 by feass2
[MS] 【求助】关于电子密度的计算 (4/803) freshman8185 2010-07-14 2010-07-17 19:44:32 by cenwanglai
[Vasp&Me ] 【求助】直接能隙 (9/1721) xiaojie7783 2010-07-16 2010-07-17 18:54:14 by guoguo3138
[MS] 【求助】MS在建模添原子时的问题??急求大侠帮助... (8/1700) clszxh02 2010-07-16 2010-07-17 17:49:17 by clszxh02
[MS] 【求助】氧吸附问题! (7/1180) liang7035 2010-06-03 2010-07-17 14:52:31 by xiaozhezhang
[MS] 【求助】Ti在castep中如何设置准确的自旋 (2/885) leillei 2010-07-17 2010-07-17 12:37:18 by leillei
[Siesta& ] 【求助】求助siesta的Ordern方法不能收敛的问题 (4/970) caqhero 2010-07-13 2010-07-17 08:06:32 by wring9005
[MS] 【求助】A+B---C求过渡态 (9/852) liujie5631 2010-07-07 2010-07-16 18:59:23 by lovemydog
[MS] 【求助】dmol搜索过渡态,计算完成,得到的过渡态没有虚频? (2/1162) tptcm 2010-07-15 2010-07-16 17:28:35 by tptcm
[MS] 【求助】castep能确定某原子周围平均静电势吗? (4/1076) carlaty 2010-07-14 2010-07-16 16:55:02 by carlaty
[MS] 【求助】Ni掺杂带隙问题? (4/973) dyk325 2010-07-14 2010-07-16 10:00:50 by dyk325
[MS] 【求助】关于dmol的过渡态搜索 (2/772) charityqi 2010-07-13 2010-07-16 09:58:39 by lovemydog
[MS] 【已解决】MS 构建的大分子如何粘贴到word? (5/709) wjqhp 2010-07-16 2010-07-16 09:18:33 by xlcwl04037105
[MS] 【求助】帮忙看看我的计算是否已收敛?    ( 1 2 ) (14/1204) freshman8185 2010-07-13 2010-07-16 07:26:14 by zyj8119
[MS] [关贴]【求助】求助文献 (0/132) meimeinn 2010-07-15 2010-07-15 23:08:51 by meimeinn
[MS] 【求助】大家看看这个结构 (9/1013) guolianshun 2010-07-15 2010-07-15 20:45:05 by stractor
[MS] 【求助】电脑配置问题 (9/642) shelay 2010-07-13 2010-07-15 18:20:54 by shelay
[热点前沿 ] 【其他】关于多步反应速控步骤问题 (8/3402) 肖湘 2010-07-14 2010-07-15 18:17:57 by lfhuang
[MS] 【求助成功】电脑里不显示Material Studio新建的文件夹 (4/963) liujie5631 2010-07-15 2010-07-15 16:22:15 by zodlee
[MS] 【求助】求资深的虫子帮助 (4/441) 283208234 2010-07-14 2010-07-15 13:03:07 by valenhou001
[MS] 【求助】请问一下有没有人知道表面重构怎么建模型 (9/2092) pashanhu105 2010-06-01 2010-07-15 13:01:55 by valenhou001
[Vasp&Me ] 【求助】gcc编译 (1/188) zjuer 2010-07-15 2010-07-15 12:44:04 by lfhuang
[其他] 【求助】大家做计算,都用什么服务器呢? (3/617) charityqi 2010-06-30 2010-07-15 11:57:48 by shelay
[MS] 【求助成功】怎样上传图像 (6/559) guolianshun 2010-07-15 2010-07-15 11:34:00 by guolianshun
[MS] 【求助成功】如何从MS服务器上手动将计算结果导入到单机上? (7/1624) 天棚元帅 2010-03-04 2010-07-15 11:02:18 by 天棚元帅
[MS] 【求助】MScastep 怎样输出满足文章要求的清晰结构图 (1/415) 随心意 2010-07-15 2010-07-15 10:22:49 by zzy870720z
[MS] 【求助】如何查看晶体内坐标u? (4/1605) 目光之城 2010-07-12 2010-07-15 10:02:37 by calos818
[MS] 【求助】建模问题 (6/1239) wwgaochao 2010-06-29 2010-07-15 09:58:40 by aylayl08
[MS] 【资源】material studio 学习的几个好课件    ( 1 2 ) (评阅+1) (13/2263) yizhaog 2009-08-24 2010-07-15 09:54:27 by guolianshun
[其他] 【求助】求助- 第一原理热力学方法 (2/325) hbl626 2010-07-14 2010-07-15 00:15:50 by goldenfisher
[MS] 【求助】电子密度问题请教 (6/1040) shelay 2009-09-07 2010-07-14 22:09:05 by freshman8185
[MS] [专家] 【求助】vamp当中的ts search为什么不能计算晶体的结构相变呢,困难在哪? (0/311) dxcharlary 2010-07-14 2010-07-14 17:50:35 by dxcharlary
[MS] 【求助】ms中如何调出过程中的结构参数 (8/1284) charityqi 2010-06-22 2010-07-14 17:46:51 by guolianshun
[MS] 【其他】硅晶体内参杂一个铁原子那种情况下最稳定    ( 1 2 ) (18/3302) 天天人间 2010-03-29 2010-07-14 17:43:47 by guolianshun
[MS] 【求助】dmol3 算电子态 (0/183) number1xu 2010-07-14 2010-07-14 16:11:40 by number1xu
[其他] 【求助】mpich2 (6/986) 子虚乌有5388 2010-07-13 2010-07-14 12:25:19 by 子虚乌有5388
[MS] 【求助】用material studio 简化拓扑结构 (2/705) coyboy1 2010-07-13 2010-07-13 20:52:51 by coyboy1
[MS] 【求助】怎么计算受主能级和杂质形成能 (1/392) chzhmei 2010-07-13 2010-07-13 20:17:53 by stractor
[Siesta& ] 【求助】transiesta计算中计算LDOS和PDOS的问题【完结】 (0/775) zhangguangping 2010-07-13 2010-07-13 18:55:34 by zhangguangping
[Siesta& ] 【求助】siesta2.0.2 安装有些警告 (4/953) njuxyh 2010-07-13 2010-07-13 16:08:54 by njuxyh
[Vasp&Me ] 【求助】在算neb时,无势垒这样正常吗?有这种情况发生吗? (5/1513) wup123 2010-07-12 2010-07-13 15:46:47 by wup123
[其他] 【分享】《量子力学》图书 (评阅+2) (2/412) firsttaojun 2010-05-28 2010-07-13 15:11:47 by jhtao
[其他] 【求助】浓度掺杂或者混合掺杂怎么计算 (2/493) dalongmao 2010-07-12 2010-07-13 15:03:23 by zyg3395
[MS] 【求助】castep能带计算    ( 1 2 ) (12/1235) scq123 2010-06-17 2010-07-13 14:17:48 by scq123
[MS] 【求助】怎样在MS里用已知参数导出图形? (6/731) leafting 2010-07-12 2010-07-13 12:06:57 by leafting
[热点前沿 ] 【原创】Reduced density matrix functional theory (RDMFT) for solids (评阅+2) (2/390) 锐利的碎片 2010-07-07 2010-07-13 09:55:01 by valenhou001
[Siesta& ] 【求助】请问semicore怎么理解 (5/2229) corbin 2010-07-12 2010-07-13 09:20:06 by dalongmao
[MS] [关贴]【求助】二氧化钛吸附模型 (评阅-3) (2/369) guolianshun 2010-07-12 2010-07-12 23:28:03 by chensxxy
[MS] 【求助】关于K points设置的问题? (6/930) freshman8185 2010-07-12 2010-07-12 22:52:48 by freshman8185
[MS] 【求助】原子位置图是用什么软件画的? (2/295) carlaty 2010-07-12 2010-07-12 22:06:12 by fzx2008
[MS] 【求助】CASTEP中remote view打不开是怎么回事 (1/408) yrx19861111 2010-07-12 2010-07-12 22:03:00 by fzx2008
[其他] 【求助】格位能 (0/133) 天天人间 2010-07-12 2010-07-12 20:57:40 by 天天人间
[MS] 【求助】硬质合金与高速钢如何建模 (0/257) xmc8362 2010-07-12 2010-07-12 20:56:51 by xmc8362
[MS] 【求助】CASTEP (0/657) 天天人间 2010-07-12 2010-07-12 20:56:43 by 天天人间
[其他] 【其他】晶体结晶速率 (2/253) 天天人间 2010-07-12 2010-07-12 20:34:41 by 天天人间
[MS] 【求助】MS5.0怎么安装的? (2/400) s044154lyg 2010-07-12 2010-07-12 19:21:24 by wuli8
[Siesta& ] 【求助】计算transmission 时bias windows怎么确定呢 (5/893) zhangying09 2010-06-26 2010-07-12 19:21:16 by zhangying09
[MS] 【求助】castep如何计算E-V曲线 (2/923) qx0813 2010-07-12 2010-07-12 18:47:46 by yindeqiang
[Vasp&Me ] 【求助】vasp4.6 并行编译警告怎么处理 (6/1670) njuxyh 2010-06-17 2010-07-12 15:54:40 by njuxyh
[Abinit] 【求助】Abinit能计算块体材料电导率吗? (6/1808) xinqing98 2010-07-12 2010-07-12 15:42:11 by bhcsmay
[MS] 【求助】结构优化 (2/410) qifu 2010-07-02 2010-07-12 13:58:58 by qifu
[MS] 【求助】MS4.4安装错误 (7/1571) genho8612 2009-07-18 2010-07-12 11:21:26 by lzli1981
[MS] 【求助】集群上无法计算PDOS (4/370) cf666 2010-07-11 2010-07-12 11:01:21 by cf666
[MS] 【求助】如何判断成键作用与反键作用 (2/1966) wzh上善若水 2010-07-11 2010-07-11 20:38:10 by zzgyb
[MS] 【求助】MS计算光学性能出错 (评阅+1) (2/434) wsjys2004 2010-07-08 2010-07-11 18:38:07 by wsjys2004
[Vasp&Me ] 【求助】请问vasp 编译的一些问题 (1/237) njuxyh 2010-07-11 2010-07-11 18:24:34 by guohuazhong
[Vasp&Me ] 【求助】优化晶格常数问题 (2/448) vaspnew 2010-07-11 2010-07-11 16:29:47 by vaspnew
[MS] 【求助】如何解释氢键的键电荷布局是负数 (3/1475) xindushu 2010-03-08 2010-07-11 15:08:26 by yangkunspace
[MS] 【求助】ms中castep提任务 (9/1424) lishufei 2010-07-04 2010-07-11 14:30:30 by MLQMLQ
[MS] 【求助】castep+自由能+具体操作(求助中) (1/684) qx0813 2010-07-10 2010-07-10 23:38:24 by cenwanglai
[其他] 【原创】第三届计算纳米科学与新能源材料研讨会第二轮通知    ( 1 2 3 ) (21/2335) nanomd 2010-06-19 2010-07-10 23:18:18 by jwucn
[Vasp&Me ] 【求助完毕】LMAXPAW 和LMINPAW设置与PROCAR中的f有关吗? (1/570) cenwanglai 2010-07-04 2010-07-10 21:29:26 by toz66
[Vasp&Me ] 【求助】Berry Phase算铁电极化的问题 (6/1848) zhang668 2010-07-04 2010-07-10 21:21:09 by 美国老太太
[MS] 【求助】Castep 大角度重合位置点阵晶界怎么建模 (0/1383) singlecat 2010-07-08 2010-07-10 20:40:24 by singlecat
[Siesta& ] 【求助】求助理解 *.DOWN.AVTRANS (0/218) lionz 2010-07-07 2010-07-10 20:40:14 by lionz
[MS] 【求助】非常想了解权重因子的计算过程! (0/230) lhw1012qf 2010-07-10 2010-07-10 20:39:50 by lhw1012qf
[Vasp&Me ] 【求助】hit a member that was already found in another star (8/972) Prettyswan 2010-07-03 2010-07-10 16:41:35 by ApolloYang
[Vasp&Me ] 【求助】求intel提供的vasp编译的makefile (3/749) lgxyz 2010-07-10 2010-07-10 15:55:48 by wuli8
[MS] 【求助】吸附能多大为物理吸附? (4/3326) ddang100 2010-06-21 2010-07-10 10:18:16 by ddang100
[MS] 【求助】MS的CUDA问题 (3/703) shelay 2010-07-10 2010-07-10 10:05:45 by yjmaxpayne
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