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热点
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酰胺脱乙酰基
chibby
2026-02-10
刚刚
[
MS
]
【求助】MS5.0 出现这样一个问题。。。
(5/1294)
amition
2011-02-24
2011-03-23 20:12:00
by
souledge
[
MS
]
【求助】小白求助关于internal coordinates
(2/282)
feierxide
2011-03-20
2011-03-23 19:22:24
by
feierxide
[
MS
]
【求助】关于光催化的内容在哪计算呢?
(5/709)
liuy1235
2011-03-13
2011-03-23 17:17:59
by
飘在空中的雨
[
MS
]
【求助成功】如何调变分子筛中的硅铝比
(4/931)
学员NnOUhz
2011-02-28
2011-03-23 17:16:45
by
061302102
[
MS
]
【求助】在有机分子式中如何加待电荷的原子
(1/453)
luckysds
2011-03-23
2011-03-23 17:04:44
by
acridine
[
MS
]
[关贴]
【求助】MS5.5纳米盘上的版本不支持大于1000个原子的体系么?
(3/486)
jiewei
2011-03-23
2011-03-23 13:24:25
by
lbambool
[
MS
]
【求助】amorphous 除了可以建模外可以计算材料的性质吗?
(1/322)
Excaliburn
2011-03-22
2011-03-23 11:40:37
by
goldenfisher
[
MS
]
【求助】关于tio2建模
(1/712)
飘在空中的雨
2011-03-23
2011-03-23 11:00:45
by
bingmou
[
MS
]
【求助】怎么把原子相连的实线改为虚线啊
(8/1721)
uhfei
2011-03-20
2011-03-23 10:07:16
by
uuv2010
[
MS
]
【求助】总能量的计算
(11/2216)
longwangye
2011-03-19
2011-03-23 09:35:14
by
longwangye
[
MS
]
【求助】怎样将经过discover分子动力学分析后的体系,施加电场?
(0/387)
目丁
2011-03-22
2011-03-22 22:11:10
by
目丁
[
MS
]
[求助]分子动力学模拟水分子通过SWCNT
(3/1090)
jianchaoyv2651
2009-03-02
2011-03-22 15:57:12
by
354895492
[
MS
]
【求助】为何计算时候出现“另一程序运行”怎么回事?
(8/1051)
coffey7835
2011-03-09
2011-03-22 15:52:57
by
zhanglx8632
[
MS
]
【求助】MS导入cif文件后的问题
(2/1412)
lblwsj
2010-07-03
2011-03-22 14:35:54
by
gene98120785
[
MS
]
【求助】MS建模时可以更改原子半径么
(1/1640)
xk6891
2011-03-20
2011-03-22 14:19:43
by
xk6891
[
MS
]
【讨论】我装了MS4.4后,里面的DFTB方法为什么不能用啊?
(2/1335)
pashanhu105
2009-05-08
2011-03-22 14:18:25
by
xk6891
[
MS
]
【求助】dmol3 计算中 的问题
(2/417)
zhanglx8632
2011-03-22
2011-03-22 14:13:47
by
zhanglx8632
[
MS
]
【求助】安装MS5.0后打不开import
(1/263)
飘在空中的雨
2011-03-22
2011-03-22 14:06:14
by
jiewei
[
MS
]
【求助】急问各位大哥,如何把ICSD中的模型导入到ms中,还是根本就不能导入
(
1
2
)
(10/1608)
xiaojivan
2011-01-14
2011-03-22 14:04:03
by
gene98120785
[
MS
]
【求助】什么情况下搜不到过渡态
(0/216)
liujie5631
2011-03-22
2011-03-22 12:15:26
by
liujie5631
[
MS
]
【求助】castep计算总是失败,大家帮我分析一下原因
(3/1130)
qx0813
2011-03-22
2011-03-22 11:49:12
by
zzy870720z
[
MS
]
【求助】RDF图分析
(1/680)
mountwar
2010-12-04
2011-03-22 10:16:50
by
amin0241
[
MS
]
【求助】使用torque软件,提交任务后出错,求教!
(5/1280)
jdy19862002
2011-03-21
2011-03-22 09:31:04
by
zzy870720z
[
MS
]
【转帖】求教高手
(4/423)
fagege2010
2011-03-21
2011-03-22 09:29:40
by
fagege2010
[
MS
]
【求助】怎么做48-原子的TiO2超晶胞
(2/382)
飘在空中的雨
2011-03-21
2011-03-22 08:30:55
by
薛金祥
[
MS
]
【求助】晶体表面的悬键如何画出?谢了
(0/340)
zhaoyanfei
2011-03-21
2011-03-21 21:49:36
by
zhaoyanfei
[
MS
]
【求助】几何优化 问题
(2/507)
sssdashuai
2011-03-21
2011-03-21 21:30:30
by
acridine
[
MS
]
【求助】CASTEP计算出介电函数的虚部如何分出xx轴和zz轴的光谱
(0/456)
love5005
2011-03-21
2011-03-21 19:53:14
by
love5005
[
MS
]
【求助】请问优化问题
(4/562)
尹珺加油
2011-03-20
2011-03-21 16:55:29
by
尹珺加油
[
MS
]
【求助】ms 怎么打开txt文件啊
(2/381)
sssdashuai
2011-03-21
2011-03-21 16:48:17
by
zzy870720z
[
MS
]
【求助】求助单斜晶系钒酸铋的晶格点阵
(0/401)
dkjiaoyang
2011-03-21
2011-03-21 16:14:08
by
dkjiaoyang
[
MS
]
【求助】用CASTEP做计算的时候LDA和GGA可否混用?
(4/801)
freshman8185
2011-03-15
2011-03-21 15:48:29
by
iamkz
[
MS
]
【求助】要多高的配置?
(4/384)
interwc
2011-03-20
2011-03-21 14:24:58
by
interwc
[
MS
]
【求助】几何优化问题
(3/518)
sssdashuai
2011-03-21
2011-03-21 13:43:50
by
uuv2010
[
MS
]
【求助】帮忙查一下NiTi的ICSD数据
(2/334)
shelay
2011-03-19
2011-03-21 12:03:13
by
zzy870720z
[
MS
]
【求助】castep求助
(金币≥10)
(0/34)
luobenhua
2011-03-21
2011-03-21 09:52:01
by
luobenhua
[
MS
]
【求助】MS 可以import的类型有哪些?
(6/1157)
5858797
2011-02-20
2011-03-21 09:42:51
by
youzhizhe
[
MS
]
ZnS的晶格常数是多少
(3/2389)
lan徉yang
2011-03-20
2011-03-20 23:54:28
by
zyxme
[
MS
]
【求助】形成焓计算 建模
(3/1519)
xf8349756
2011-03-20
2011-03-20 21:19:15
by
sunyang1988
[
MS
]
【求助】菜鸟求助
(2/339)
2235803
2011-03-18
2011-03-20 16:07:23
by
2235803
[
MS
]
【求助】第一性研究二氧化钛掺杂后的导带价带位置讨论
(7/2297)
guolianshun
2011-03-10
2011-03-20 15:07:06
by
bingmou
[
MS
]
【其他】MS计算问题讨论
(0/154)
sss3012
2011-03-20
2011-03-20 13:03:05
by
sss3012
[
MS
]
【求助】优化失败
(3/495)
kong我就是我
2011-03-19
2011-03-20 12:02:29
by
lfzlpd
[
MS
]
【求助】mulliken布局数可否这样理解?
(1/708)
freshman8185
2011-03-02
2011-03-20 11:05:51
by
尹珺加油
[
MS
]
【求助】CASTEP优化不收敛问题
(5/1585)
xianggui7895
2011-03-04
2011-03-20 10:56:18
by
尹珺加油
[
MS
]
【求助】请问ms中内坐标u在哪可以看到?
(3/1333)
jhniu8233
2011-03-06
2011-03-20 10:54:26
by
尹珺加油
[
MS
]
【求助】求服务器配置
(0/373)
fagege2010
2011-03-20
2011-03-20 10:06:05
by
fagege2010
[
MS
]
【求助】碳纳米管掺杂后能带变化都会很大吗?
(1/204)
zhanglx8632
2011-03-20
2011-03-20 09:53:31
by
纳米材料753
[
MS
]
【求助】CASTEP里的参数怎么设?
(8/1522)
interwc
2011-03-18
2011-03-20 09:40:47
by
liancsh
[
MS
]
【求助】几何优化问题
(25/4071)
李佳佳佳
2011-03-07
2011-03-19 21:30:38
by
李佳佳佳
[
MS
]
【求助】求MS4.3以上的版本,我的机子是XP64位专业版的
(4/768)
gougou531
2011-03-15
2011-03-19 19:31:59
by
尹珺加油
[
MS
]
【求助】MSlinux安装
(0/444)
lynarcissusly
2011-03-19
2011-03-19 18:14:53
by
lynarcissusly
[
MS
]
【求助】Licenses for MS5.5 WIN7-64 error
(1/525)
jiewei
2011-03-19
2011-03-19 03:41:18
by
zyxme
[
MS
]
【求助】文献翻译
(1/468)
qqfly2003
2011-03-07
2011-03-18 21:17:39
by
尹珺加油
[
MS
]
【求助】请高人指点MS 优化问题
(2/540)
yshl7237
2011-03-13
2011-03-18 20:54:29
by
尹珺加油
[
MS
]
【求助】服务器连接计算
(2/494)
sss3012
2011-03-18
2011-03-18 18:50:25
by
lbambool
[
MS
]
【求助】用GGA优化不收敛
(10/1482)
ly958
2011-03-14
2011-03-18 16:25:06
by
ly958
[
MS
]
【求助】表面吸附
(0/196)
xfy0423
2011-03-18
2011-03-18 11:02:40
by
xfy0423
[
MS
]
【求助】MS 5.5安装失败 求助
(5/881)
milo163
2011-03-15
2011-03-18 09:02:55
by
huweny87
[
MS
]
【求助】MS关于混合焓计算问题-怎样替换原子?
(金币≥10)
(1/75)
youqin5912
2011-03-14
2011-03-17 16:24:21
by
youqin5912
[
MS
]
【求助】如何做出Au簇的模型
(0/544)
sunzhiguo
2011-03-17
2011-03-17 10:42:51
by
sunzhiguo
[
MS
]
【求助】请教高手Au/TiO2{203}模型如何做
(4/382)
sunzhiguo
2011-03-16
2011-03-17 10:40:52
by
sunzhiguo
[
MS
]
【求助】请大家帮忙解决MS运行问题
(9/1651)
who1981114
2011-03-15
2011-03-17 10:12:20
by
who1981114
[
MS
]
【求助】谁有【能带和态密度图的绘制】的视频麻烦发个链接
(2/381)
purewater2715
2011-03-09
2011-03-17 08:40:30
by
meimeidyh
[
MS
]
【求助】帮忙看看是什么问题
(0/273)
sssdashuai
2011-03-16
2011-03-16 15:03:14
by
sssdashuai
[
MS
]
【求助】界面能的计算
(1/1237)
lh_fang
2011-03-11
2011-03-16 13:07:42
by
yefeixjtu
[
MS
]
[关贴]
【求助】无法让原子只在z方向弛豫
(2/263)
guitar2033
2011-03-15
2011-03-16 12:18:21
by
guitar2033
[
MS
]
【求助】Tio2模型为什么替换掉一个TI原子后,结构中的TI原子都变成替换了的?
(2/331)
liuy1235
2011-03-16
2011-03-16 12:07:47
by
dali2006
[
MS
]
【求助】超晶格 Vs. 量子阱
(评阅+1)
(5/1207)
lfzlpd
2011-01-30
2011-03-16 11:00:27
by
qqpie
[
MS
]
【求助】[求助]Phosphorus (P)的晶格参数
(3/475)
yuchun
2011-03-14
2011-03-16 10:29:19
by
yuchun
[
MS
]
【求助】frequency and phonon
(2/407)
cash_ms
2010-12-22
2011-03-16 08:59:38
by
冰雨雾
[
MS
]
【求助】晶体结构图
(5/678)
mountwar
2011-03-15
2011-03-16 08:57:42
by
youzhizhe
[
MS
]
【求助】请教一下各位二硫化钛的晶格常数及基矢是多少,非常感谢!!!
(1/1205)
蜀中山鹰
2011-03-15
2011-03-15 23:16:03
by
lindlar0078
[
MS
]
[专家]
【求助】在materials studio里面能把一个结构作中心反演或者镜面吗?
(0/847)
dxcharlary
2011-03-15
2011-03-15 22:33:19
by
dxcharlary
[
MS
]
【求助】服务器计算的问题
(10/1602)
shelay
2011-02-24
2011-03-15 21:25:41
by
lbambool
[
MS
]
【求助】购买castep的license数目问题
(4/729)
yangger
2011-03-14
2011-03-15 20:14:39
by
lbambool
[
MS
]
【求助】晶体硅与非晶硅
(1/503)
天天人间
2011-03-15
2011-03-15 16:07:47
by
bingmou
[
MS
]
【求助】麻烦各位给查一下晶体结构原子坐标,PCPDF 48-0108 Ca2MgWO6 谢谢!
(2/383)
wy2008szy
2011-03-15
2011-03-15 15:26:02
by
lindlar0078
[
MS
]
【求助】请教:用MS对富勒烯进行GGA几何优化时core treatment该如何设置呀? tabindex=
(3/983)
songh_cn
2011-03-14
2011-03-15 11:49:51
by
beefly
[
MS
]
【求助】castep优化失败
(0/304)
luobenhua
2011-03-15
2011-03-15 11:24:25
by
luobenhua
[
MS
]
【求助】通讯失败后就只有一两个cpu在计算了
(0/193)
zhenfeili
2011-03-15
2011-03-15 11:23:43
by
zhenfeili
[
MS
]
【求助】急:怎样在Ni(111)上建[(根号7)X(根号7)]R30°的复杂单胞
(1/647)
zcntydyd
2011-03-15
2011-03-15 11:22:00
by
渔火江枫
[
MS
]
【求助】建模型草图疑惑
(0/169)
yangbob
2011-03-15
2011-03-15 11:14:04
by
yangbob
[
MS
]
【求助】拜托各位了,求助文献
(0/155)
nwx_ky
2011-03-15
2011-03-15 09:08:58
by
nwx_ky
[
MS
]
【求助】ms运行与IE有关吗?
(2/355)
wunianleng
2011-03-14
2011-03-14 15:33:52
by
youzhizhe
[
MS
]
【求助】启动MS时出现这个错误提示
(3/601)
hans201011
2011-03-08
2011-03-14 13:25:50
by
jacky.linn
[
MS
]
【求助】如何从MS中得到自发极化强度?
(金币≥1)
(0/64)
274273
2011-03-14
2011-03-14 13:14:30
by
274273
[
MS
]
求助:MS castep 可以算极化强度
(2/604)
yangkunspace
2009-03-08
2011-03-14 12:56:33
by
274273
[
MS
]
【求助】如何计算晶体极化强度
(评阅+1)
(1/656)
以诚相待
2010-03-28
2011-03-14 12:55:09
by
274273
[
MS
]
【求助】紧急求助,急需帮忙。
(0/108)
convenient
2011-03-14
2011-03-14 11:43:52
by
convenient
[
MS
]
【求助】用CASTEP怎么算体系的偶极矩
(1/570)
姚姗姗
2010-11-09
2011-03-14 10:55:25
by
目光之城
[
MS
]
【求助】求助MS计算式任务进行顺序的问题
(7/1249)
hello8128
2011-03-07
2011-03-13 20:04:11
by
souledge
[
MS
]
【求助】求ZnO价带顶能量
(1/400)
kangli8165
2011-03-13
2011-03-13 14:58:33
by
stractor
[
MS
]
【求助】请问Casetep中内参数u是直接看到的还是算出来的,如果是算出来的,怎么算?
(7/1233)
jhniu8233
2011-03-07
2011-03-13 13:05:49
by
尹珺加油
[
MS
]
【求助】电子donor和acceptor
(0/781)
mountwar
2011-03-13
2011-03-13 10:13:07
by
mountwar
[
MS
]
【求助】氢键
(0/258)
mountwar
2011-03-12
2011-03-12 21:15:34
by
mountwar
[
MS
]
用dmol3算振动频率
(0/463)
luqianshan
2011-03-12
2011-03-12 17:07:31
by
luqianshan
[
MS
]
【求助】单个氧原子的能量E出现问题,请高手指教!
(18/3548)
liang7035
2010-12-08
2011-03-12 15:54:16
by
hiluokun
[
MS
]
【分享】MS castep 计算化学高级教程
(评阅+1)
(金币≥10)
(6/291)
lixxyyzzz
2009-06-04
2011-03-12 13:32:43
by
陈余酒家
[
MS
]
【求助】HF/6-31G方法得出的初始结构
(5/771)
liujuan8704
2011-03-07
2011-03-12 11:19:53
by
liujuan8704
15017
129/151
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