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有时候真觉得大城市人没有县城人甚至个体户幸福
苏东坡二世
2026-02-10
刚刚
[
MS
]
【求助】急!!!求高手帮助,MS安装问题
(1/496)
海洋kissy
2011-04-12
2011-04-12 17:02:12
by
zzy870720z
[
MS
]
【求助】请问单个一个分子和一个分子在晶胞中计算红外光谱有啥区别?
(5/1148)
shuo2008
2010-12-01
2011-04-12 15:01:57
by
yasistar
[
MS
]
【求助】请教CASTEP计算IR输出问题
(1/625)
zhanping
2011-01-06
2011-04-12 15:00:45
by
yasistar
[
MS
]
【求助】表面建模单个晶胞与多个晶胞是否有区别
(2/363)
susie8642
2011-04-12
2011-04-12 14:41:53
by
susie8642
[
MS
]
【求助】进行vibrational analysis时,双击虚频,没有动画演示,怎么回事?
(0/200)
qi-cheng
2011-04-12
2011-04-12 13:43:16
by
qi-cheng
[
MS
]
【求助】任务计算失败
(4/434)
yaoyinhua
2011-04-11
2011-04-12 12:29:58
by
yaoyinhua
[
MS
]
【求助】测试收敛性。
(6/1409)
Gina88
2011-01-23
2011-04-12 11:30:26
by
dujunhui
[
MS
]
【求助】win7旗舰版装上后,从计算机属性中看,只显示有两个处理器
(3/700)
378287892
2011-04-10
2011-04-12 11:09:57
by
378287892
[
MS
]
【求助】MS test server gateway 问题
(7/1476)
bianyuan2680
2011-04-09
2011-04-12 10:26:57
by
guillarte
[
MS
]
【求助】material studio不能多任务并行
(3/1331)
lywiailyw
2011-04-11
2011-04-12 10:22:51
by
风间的记忆
[
MS
]
【求助】关于sorption做吸附,结构优化,吸附热,两组分吸附问题。
(金币≥1)
(14/229)
hukd
2011-03-08
2011-04-12 08:44:25
by
alfalfaxc
[
MS
]
【求助】如何根据已经建好的纳米线反过来计算合金的晶格常数
(1/261)
zhanghuiyuan
2011-03-10
2011-04-11 23:32:52
by
rose_marry
[
MS
]
[关贴]
【求助】MS中能否看出杂化类型
(2/805)
liuhongge1
2011-04-11
2011-04-11 22:55:47
by
souledge
[
MS
]
【求助】求使用ms 仿真碳纳米管的文献
(0/248)
flymice
2011-04-11
2011-04-11 20:37:14
by
flymice
[
MS
]
【求助】吸附脱硫模拟
(3/794)
alfalfaxc
2011-04-11
2011-04-11 20:13:38
by
alfalfaxc
[
MS
]
【求助】根号2×2的表面是什么意思?
(5/1980)
Copent
2010-04-05
2011-04-11 20:02:06
by
量化新手
[
MS
]
【求助】CASTEP TiO2结构
(1/403)
飘在空中的雨
2011-04-11
2011-04-11 17:22:29
by
zzy870720z
[
MS
]
【求助】关于形成能的问题
(5/961)
ahu1221
2011-02-23
2011-04-11 16:11:18
by
pengjiutian
[
MS
]
【求助】大家帮忙看看这个MS输出结果里面的数据代表什么啊
(9/857)
guolianshun
2011-01-04
2011-04-11 15:44:32
by
guolianshun
[
MS
]
【求助】如何构建溶剂分子在聚酰亚胺中吸附的PI晶胞模型
(5/1399)
lufuwei
2011-03-15
2011-04-11 15:30:58
by
hanpeng972
[
MS
]
【求助】装了MS5.0 可依然没有CASTEP Dynamics 模块,哪位有,受累发一下,大恩不言谢
(0/218)
海洋kissy
2011-04-11
2011-04-11 12:36:57
by
海洋kissy
[
MS
]
【原创】ac建立一个没有力场的元素的盒子
(评阅+3)
(1/326)
zyj8119
2010-06-03
2011-04-11 12:36:15
by
萱月琪琪
[
MS
]
【求助成功】急求:水环境下相互作用能的计算
(1/397)
水之源
2011-04-07
2011-04-11 10:59:30
by
水之源
[
MS
]
【求助】在利用Dmol3计算纳米晶能带时,如何对计算结果进行合理修正?
(1/317)
liwh1990
2010-12-08
2011-04-11 10:58:15
by
guolianshun
[
MS
]
【求助】请问各位大虾,在用Dmol3计算能带后怎样用剪刀差进行修正啊?
(6/1086)
liwh1990
2010-12-13
2011-04-11 10:44:45
by
guolianshun
[
MS
]
【求助】MS的一些问题
(3/992)
ljlnlj
2011-04-11
2011-04-11 10:39:22
by
xianggui7895
[
MS
]
【求助】优化金属表面失败!!求指点
(6/1124)
amition
2011-04-01
2011-04-11 10:16:12
by
amition
[
MS
]
【求助】计算机问题
(1/295)
fagege2010
2011-04-11
2011-04-11 09:54:59
by
sophiazbs
[
MS
]
【求助】MS计算得到的DOS怎么和能带对应起来
(10/1127)
guolianshun
2010-12-16
2011-04-11 08:07:11
by
guolianshun
[
MS
]
【求助】MS软件中,如何解析有机化合物的红外光谱?
(5/1572)
sushuo
2011-03-29
2011-04-10 23:37:26
by
phys
[
MS
]
【求助】新手求助-计算金属熔点怎么给系统升温?详细点谢谢
(2/207)
zhangh710021
2011-04-10
2011-04-10 22:46:20
by
zhangh710021
[
MS
]
【求助】请问一下晶体Tetragonal phase的shear anisotropic factor怎么求
(4/794)
wzh上善若水
2011-04-09
2011-04-10 22:31:59
by
wzh上善若水
[
MS
]
【求助】γ-Al2O3几何优化不收敛
(1/477)
nnwang
2011-04-10
2011-04-10 19:06:39
by
zzy870720z
[
MS
]
【求助】救助:MS模拟中找不CASTEP.Dynamics模块,怎么办?急
(2/418)
海洋kissy
2011-04-10
2011-04-10 18:58:52
by
zzy870720z
[
MS
]
【求助】运行MS报错,download any results generated so far?这是什么问题呢
(1/816)
ynml
2011-04-10
2011-04-10 18:55:55
by
zzy870720z
[
MS
]
【求助】刚来的审稿意见,有关MS的,请问大家这句话是什么意思?
(3/2901)
tjufyn
2011-03-26
2011-04-10 15:43:18
by
jwfu
[
MS
]
【求助】MS4.4讲述 CASTEP中Core-Level Spectroscopy的 ppt
(0/244)
yaoyinhua
2011-04-10
2011-04-10 12:13:24
by
yaoyinhua
[
MS
]
【求助】Imma相的建模与收敛测试问题
(3/488)
susie8642
2011-04-09
2011-04-10 08:37:33
by
susie8642
[
MS
]
【求助】Licensing Error ! MS5.0
(6/1300)
贺仪
2011-03-08
2011-04-09 21:54:10
by
ellsaking
[
MS
]
【求助】感觉MS就是把各个软件包组装起来
(
1
2
3
4
)
(30/1787)
byin
2010-06-13
2011-04-09 18:35:03
by
风间的记忆
[
MS
]
[关贴]
【求助】原子间相互作用能!
(2/287)
liang7035
2010-12-23
2011-04-09 16:56:05
by
mittoefl
[
MS
]
【分享】Vacuum (真空)说明分享
(评阅+2)
(3/568)
guolianshun
2010-09-26
2011-04-09 16:24:09
by
susie8642
[
MS
]
【求助】如何在MS中将氢分子加在Mg表面上?
(5/1154)
liancsh
2011-04-08
2011-04-09 11:26:32
by
houfeifan
[
MS
]
【求助】为何两种结构计算出来的结果不一样?
(3/472)
chzhmei
2011-04-08
2011-04-09 10:40:22
by
chzhmei
[
MS
]
【求助】求第一性原理,密度泛函等相关学习资料
(3/619)
luoluoasdf
2011-04-07
2011-04-08 21:47:04
by
youzhizhe
[
MS
]
【求助】请问PBE和PW91有何区别
(7/4677)
crystalgirl1
2011-04-01
2011-04-08 20:48:36
by
souledge
[
MS
]
【求助】计算下PbSe的导带价带位置,用那个板块啊?
(8/656)
guolianshun
2011-04-07
2011-04-08 20:00:06
by
guolianshun
[
MS
]
【求助】这种优化结果收敛了吗?
(5/830)
stonezhoujun
2011-03-08
2011-04-08 19:16:14
by
dlthl
[
MS
]
【求助成功】这怎么就收敛了呢?
(
1
2
)
(10/1491)
lzl8181
2010-11-02
2011-04-08 19:14:37
by
dlthl
[
MS
]
【求助】Dmol3结构优化后计算能量时出现的问答题
(3/777)
chenkejuan
2011-04-08
2011-04-08 16:58:11
by
Andyzd
[
MS
]
【求助】哪位仁兄有castep做磁性计算的资料
(1/335)
btvipvip
2009-11-22
2011-04-08 16:57:59
by
luobenhua
[
MS
]
【求助】如何用castep计算某一能量区间内的电荷密度
(评阅-1)
(4/994)
hiyangyue
2011-04-07
2011-04-08 16:38:55
by
hiyangyue
[
MS
]
【求助成功】关于mpi的问题 求助成功
(2/380)
ahu1221
2011-04-07
2011-04-08 16:10:48
by
ahu1221
[
MS
]
【求助】分子动力学 弛豫 某结构
(0/969)
tc1788
2011-04-08
2011-04-08 16:10:28
by
tc1788
[
MS
]
【求助】MS计算能带出错
(2/632)
小小中
2011-04-07
2011-04-08 15:23:53
by
火柴天堂7909
[
MS
]
【求助】castep中的Optical Permittivity和DC Permittivity
(3/1110)
spring5908
2010-05-17
2011-04-08 14:21:17
by
spring5908
[
MS
]
【求助】建模
(0/230)
朱雪婷
2011-04-08
2011-04-08 08:45:42
by
朱雪婷
[
MS
]
【求助】dmol算计算结果,请大家看下讨论讨论。
(6/503)
guolianshun
2011-04-02
2011-04-08 08:16:36
by
guolianshun
[
MS
]
【求助】计算IR很长时间路径不动
(0/131)
yaoyinhua
2011-04-08
2011-04-08 08:14:11
by
yaoyinhua
[
MS
]
【求助】模型优化能量上升的问题
(3/469)
ysdxkangjie
2011-04-07
2011-04-08 07:41:49
by
ysdxkangjie
[
MS
]
【求助】弱弱的问下:能否用MS模拟金属和金属氧化物的置换反应呢?
(1/169)
s102991
2011-03-29
2011-04-07 20:59:08
by
s102991
[
MS
]
【求助】CASTEP几何优化 能量
(6/1896)
dlthl
2011-03-06
2011-04-07 20:30:40
by
hecking
[
MS
]
【求助】castep如何计算某一能量范围内的电荷密度图
(0/197)
hiyangyue
2011-04-07
2011-04-07 13:47:53
by
hiyangyue
[
MS
]
【求助】TiO2的红外计算
(6/572)
zzjzjnb
2010-04-28
2011-04-07 11:40:14
by
yaoyinhua
[
MS
]
【求助】请教!!!各位高手希望能解决小弟的麻烦!!!!
(4/593)
superfcc
2010-10-27
2011-04-07 11:18:32
by
franch
[
MS
]
【求助】建模问题
(6/663)
朱雪婷
2011-04-06
2011-04-07 08:31:04
by
朱雪婷
[
MS
]
【求助】IR spectrum分析
(9/2323)
B.C.Wang
2009-09-17
2011-04-06 22:18:37
by
yaoyinhua
[
MS
]
【求助】大家计算IR and Raman spectra 一般在什么样的设置下需要多久时间?
(1/413)
Excaliburn
2011-03-07
2011-04-06 22:14:21
by
yaoyinhua
[
MS
]
【求助】关于DMol3 收敛阈值
(4/1853)
guohui_Hao
2011-03-09
2011-04-06 22:13:10
by
yaoyinhua
[
MS
]
【求助】CASTEP计算IR问题
(0/295)
yaoyinhua
2011-04-06
2011-04-06 21:23:40
by
yaoyinhua
[
MS
]
【求助】请问CASTEP中IR是计算材料的红外光谱吗
(2/1773)
yaoyinhua
2011-04-05
2011-04-06 15:28:37
by
yaoyinhua
[
MS
]
【求助】MS5.5队列问题
(7/765)
sikasun
2011-04-01
2011-04-06 15:17:50
by
sikasun
[
MS
]
【求助】castep怎么计算完了,显示计算数据下载失败呀?我就在自己电脑上算的,谢谢
(1/675)
huangye2001
2011-04-06
2011-04-06 13:34:00
by
zzy870720z
[
MS
]
【求助】在计算得到吸收图时为何横坐标是频率的单位,而不是波长的单位呢?比如多少纳
(2/324)
liuy1235
2011-04-05
2011-04-06 11:23:19
by
liuy1235
[
MS
]
【求助】castep收敛性测试与geo-optimiz的区别
(0/476)
susie8642
2011-04-06
2011-04-06 10:52:36
by
susie8642
[
MS
]
【求助】这句话的意思
(2/273)
wunianleng
2011-03-31
2011-04-06 10:33:21
by
luobenhua
[
MS
]
【求助】表面原子扩散
(4/1489)
w2056275
2011-03-14
2011-04-06 09:36:04
by
ellsaking
[
MS
]
【求助】internal error是什么原因
(2/233)
chenkejuan
2011-03-30
2011-04-06 08:30:49
by
zzy870720z
[
MS
]
【求助】Error: Parameter "^M" not found in current command tree path.
(1/244)
chenxiankai
2011-04-05
2011-04-06 00:17:59
by
zzy870720z
[
MS
]
【求助】关于MS#2和#3的错误问题
(3/1005)
ahu1221
2011-04-03
2011-04-06 00:09:35
by
zzy870720z
[
MS
]
【求助】CASTEP突然歇停的奇怪现象
(5/1439)
dkjiaoyang
2011-04-03
2011-04-05 23:40:46
by
dkjiaoyang
[
MS
]
【求助】非常简单的调不出单晶体晶胞问题
(1/394)
iceaiai
2011-03-14
2011-04-05 20:04:58
by
franch
[
MS
]
【求助】castep计算成功,但提示有warnings
(3/644)
xmc8362
2010-08-02
2011-04-05 19:00:09
by
尹珺加油
[
MS
]
【求助】计算能带结构失败,请问原因,谢谢!
(4/1105)
尹珺加油
2011-04-01
2011-04-05 17:26:35
by
尹珺加油
[
MS
]
【求助】DMol3中的dynamic
(1/561)
linldq
2011-03-20
2011-04-05 17:05:53
by
franch
[
MS
]
【求助】做毕设用ms计算关于InN方面的,哪位大虾知道它的坐标(icsd参数)吗
(4/827)
jqb040789
2011-03-25
2011-04-05 11:41:24
by
icyspace
[
MS
]
【求助】请问:用MS怎样构建水合物?例如:五水硫酸铜
(1/271)
蜀中山鹰
2011-03-22
2011-04-05 00:11:36
by
sunyang1988
[
MS
]
【求助】ms下硅晶体空位运动
(0/228)
darmer
2011-04-04
2011-04-04 20:52:22
by
darmer
[
MS
]
【求助】服务器上提交任务计算失败
(4/766)
fengshiquan
2011-04-02
2011-04-04 16:59:04
by
fengshiquan
[
MS
]
【求助】band gap
(1/470)
ly958
2011-03-21
2011-04-04 16:40:54
by
ly958
[
MS
]
【求助】求助linux系统下的Dmol5.5
(3/481)
wang1234wxj
2011-03-24
2011-04-04 16:40:14
by
zzy870720z
[
MS
]
【求助】ultrasoft和norm-conserving赝势对能带态密度的影响?
(1/1869)
freshman8185
2011-04-03
2011-04-04 15:41:49
by
jinzhulin000
[
MS
]
【求助】可以用几个CPU
(8/746)
interwc
2011-04-01
2011-04-04 10:45:06
by
剑魄诗魂
[
MS
]
【求助】计算弹性模量和泊松比
(8/3808)
蝶舞九天
2011-04-01
2011-04-04 00:04:01
by
cash_ms
[
MS
]
【求助】请问在MS中如何做替位结构呢
(0/169)
ahu1221
2011-04-03
2011-04-03 22:59:52
by
ahu1221
[
MS
]
【求助】高斯 ESP
(5/1312)
mountwar
2011-04-02
2011-04-03 22:54:44
by
zyj8119
[
MS
]
[关贴]
【求助】ms下建模的一些问题
(评阅-2)
(1/582)
llg1987
2011-04-03
2011-04-03 19:53:05
by
franch
[
MS
]
【求助】求助用MS建酸性溶液环境
(3/430)
baileylee
2011-03-31
2011-04-03 19:46:01
by
fds329
[
MS
]
【求助】关于态密度的一个简单的问题
(2/883)
water_水
2011-04-02
2011-04-03 16:27:10
by
mazuju028
[
MS
]
[专家]
【原创】CASTEP下跑MD大模型时碰到的问题及解决方法
(评阅+3)
(5/1796)
souledge
2011-01-10
2011-04-03 15:26:55
by
llg1987
15017
127/151
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