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调剂
好好读书。
2026-04-08
刚刚
[
MS
]
请问大家Cij都是在哪里找到的?
(1/881)
iamkz
2011-08-29
2011-08-29 17:00:24
by
贺仪
[
MS
]
[已完结]
为什么做出来的TiO2 DOS图导带不劈裂
(1/258)
飘在空中的雨
2011-08-29
2011-08-29 16:38:55
by
buct2010
[
MS
]
[已完结]
ms软件 分子筛 分离
(0/247)
binkwei
2011-08-29
2011-08-29 11:20:00
by
binkwei
[
MS
]
【求助】Castep模块的LDA计算中pressure是用什么algorithm加上的
(5/828)
ly958
2011-04-08
2011-08-29 11:00:51
by
哥是传说
[
MS
]
castep 计算设置!
(6/1649)
zhengjifine
2011-08-21
2011-08-29 10:39:00
by
哥是传说
[
MS
]
[已完结]
能带计算用原胞还是单胞?
(3/2733)
xtrlcj
2011-08-22
2011-08-29 10:34:10
by
哥是传说
[
MS
]
[已完结]
求助:CO在金属氧化物表面为什么是O上C下
(1/331)
aa644387857
2011-08-28
2011-08-28 19:27:38
by
cavediger
[
MS
]
[已完结]
态密度问题--
(0/215)
luobenhua
2011-08-28
2011-08-28 16:53:24
by
luobenhua
[
MS
]
[已完结]
[关贴]
DMOL3 种 Empty band 的设置问题
(3/877)
hh19850402
2011-08-27
2011-08-28 09:29:55
by
hh19850402
[
MS
]
[已完结]
石墨烯 构型优化失败 求高手指点迷津 不胜感激
(1/1166)
mypursuit
2011-08-28
2011-08-28 09:27:19
by
mypursuit
[
MS
]
[已完结]
对原胞进行结构优化时 要make P1 取消其对称性么?
(8/4300)
韩D小希
2011-08-25
2011-08-27 20:59:43
by
cg陈
[
MS
]
[已完结]
如何在MS详细计算磁矩?
(0/2198)
li_jinchun
2011-08-27
2011-08-27 18:48:39
by
li_jinchun
[
MS
]
[已完结]
DMOL3计算DOS的设置问题
(0/556)
hh19850402
2011-08-27
2011-08-27 16:50:45
by
hh19850402
[
MS
]
[已完结]
linux下利用DMOL3计算-写脚本
(0/1014)
lxrui
2011-08-27
2011-08-27 13:14:40
by
lxrui
[
MS
]
[专家]
[已完结]
计算光学性质的剪刀差如何确定?
(3/1113)
dxcharlary
2011-08-26
2011-08-27 10:15:36
by
buct2010
[
MS
]
[已完结]
做得图导出的图片为什么分辨率很低?怎么改进
(4/1869)
jfli
2011-08-26
2011-08-26 19:23:27
by
sunupper
[
MS
]
[已完结]
Mn2+的价电子没有p态的电子,为什么我算出来的PDOS图中有p电子的峰呢?
(5/1585)
mingflower
2011-06-15
2011-08-26 14:48:02
by
identation
[
MS
]
castep计算得到的PDOS
(2/468)
学员R4ywV3
2011-08-26
2011-08-26 14:33:53
by
zdsk
[
MS
]
[已完结]
如何从电子云上看出是共价键还是离子键
(2/1841)
李佳佳佳
2011-08-25
2011-08-26 13:41:59
by
李佳佳佳
[
MS
]
[color=Yellow]【求助】如何确定晶格大小[/color]
(4/951)
萱月琪琪
2011-04-10
2011-08-26 10:59:28
by
萱月琪琪
[
MS
]
Castep 里面 Find Symmetry怎么用
(3/1932)
aa644387857
2011-08-24
2011-08-25 17:33:34
by
aa644387857
[
MS
]
算过渡金属的单原子能量
(7/2189)
slogger
2011-07-17
2011-08-25 16:50:44
by
slogger
[
MS
]
[已完结]
怎么计算过渡金属Cr的单个原子的能量
(4/1581)
slogger
2011-08-02
2011-08-25 16:49:16
by
slogger
[
MS
]
[已完结]
算电荷差分时的选项
(3/495)
slogger
2011-08-04
2011-08-24 21:33:43
by
frank_zhan
[
MS
]
【求助】gaussian 收敛
(2/441)
mountwar
2011-03-21
2011-08-24 17:21:57
by
ellemiu
[
MS
]
[已完结]
请教:dmol3模块中,金属/陶瓷异相界面结构的约束设置
(0/190)
det_love
2011-08-24
2011-08-24 15:59:01
by
det_love
[
MS
]
[已完结]
求助如何在建模的时候添加饱和氢键?悬赏金币5个
(0/379)
期待和angel
2011-08-24
2011-08-24 15:23:24
by
期待和angel
[
MS
]
[已完结]
在CASTEP 中如何画电子电荷密度图(electronic charge density)
(1/687)
piao2004ha
2011-08-22
2011-08-24 15:07:50
by
luobenhua
[
MS
]
[已完结]
优化结构的时候Max.displacement 不收敛是什么原因啊
(1/1963)
louazhao
2011-08-22
2011-08-24 15:00:06
by
luobenhua
[
MS
]
【求助】计算两种相的界面
(3/502)
wanders
2011-03-18
2011-08-24 10:35:12
by
hh19850402
[
MS
]
【求助】费米面
(3/1431)
liangping3881
2010-10-09
2011-08-23 19:10:14
by
humeng0811
[
MS
]
[已完结]
MS分析不同卤素取代杯4吡咯在溶液中的不同 急
(1/479)
sun_kl66
2011-05-06
2011-08-23 19:07:43
by
重楼寻相思
[
MS
]
【求助】求spin-unstricted 解析
(2/1087)
guohui_Hao
2010-12-11
2011-08-23 18:44:59
by
重楼寻相思
[
MS
]
[已完结]
离子吸附
(3/375)
nwx_ky
2011-08-06
2011-08-23 16:05:35
by
nwx_ky
[
MS
]
[已完结]
替换晶体中的基团
(
1
2
)
(11/1673)
贺仪
2011-08-15
2011-08-23 15:09:22
by
贺仪
[
MS
]
[已完结]
MS5.5的license装不上去,如何解决
(5/1744)
vincent2376
2011-08-21
2011-08-23 14:44:11
by
youzhizhe
[
MS
]
[已完结]
ms中discover做setup出错
(1/554)
量化新手
2011-08-18
2011-08-23 12:58:52
by
xujc1983
[
MS
]
【求助】Dmol3进行全电子计算ZnO掺杂
(3/851)
xf8349756
2011-03-11
2011-08-23 12:13:03
by
frank_zhan
[
MS
]
[已完结]
计算声子谱出问题,求助怎么回事
(0/507)
随心意
2011-08-23
2011-08-23 10:09:37
by
随心意
[
MS
]
[已完结]
求助牛人
(3/256)
553131136
2011-08-22
2011-08-23 09:00:53
by
553131136
[
MS
]
[已完结]
MS能带横坐标的怎么标注
(8/1587)
李翔1986
2011-08-21
2011-08-22 21:32:16
by
zdsk
[
MS
]
[已完结]
怎么用MS算小分子的吸附
(1/1010)
qi-cheng
2011-08-11
2011-08-22 21:16:51
by
重楼寻相思
[
MS
]
【分享】能带分析来看金属、半导体还是绝缘体
(评阅+1)
(7/2663)
guolianshun
2010-09-25
2011-08-22 15:58:53
by
tider
[
MS
]
[已完结]
[关贴]
licence的问题,求帮助
(1/838)
yh3166
2011-05-19
2011-08-22 09:36:33
by
scorn319
[
MS
]
castep的energy cutoff设置能否改变运算中使用的内存大小
(3/2043)
scq123
2011-05-19
2011-08-22 09:25:16
by
gaojunfeng83
[
MS
]
[已完结]
DMOL3 设置问题
(6/1518)
zhuzisummer
2011-08-18
2011-08-22 09:23:59
by
zhuzisummer
[
MS
]
[已完结]
castep 计算过度金属掺杂ZnO磁性问题!!
(5/1940)
zhengjifine
2011-08-21
2011-08-21 22:14:53
by
encke
[
MS
]
聚合物模拟
(0/234)
zhangzhiga
2011-08-21
2011-08-21 13:31:35
by
zhangzhiga
[
MS
]
[已完结]
关于MS5.5 关于P1对称性
(
1
2
)
(13/1592)
飘在空中的雨
2011-08-17
2011-08-21 13:24:03
by
飘在空中的雨
[
MS
]
[关贴]
【分享】ms5.0安装方法(客服提供)已修改,测试可用,喜欢下载!!
(29/4506)
hzfish
2010-04-11
2011-08-21 10:10:57
by
pipi
[
MS
]
[已完结]
[关贴]
声子谱计算问题
(0/289)
qx0813
2011-08-21
2011-08-21 09:01:14
by
qx0813
[
MS
]
[已完结]
MS计算,求懂电脑配置的帮忙
(7/2311)
飘在空中的雨
2011-08-02
2011-08-20 22:49:40
by
zdsk
[
MS
]
[已完结]
模拟X射线衍射
(7/1472)
李佳佳佳
2011-08-19
2011-08-20 15:04:03
by
ahehyh
[
MS
]
[已完结]
CASTEP 运行出错
(1/697)
ujqt007
2011-05-14
2011-08-20 14:23:44
by
zdsk
[
MS
]
[已完结]
[关贴]
CASTEP优化出错
(4/1235)
qiudong1009
2011-05-25
2011-08-20 14:23:17
by
zdsk
[
MS
]
[已完结]
在Dmol3里怎么利用mulliken population计算和分析电荷的转移
(3/3045)
frank_zhan
2011-08-17
2011-08-20 12:00:56
by
zhuzisummer
[
MS
]
[已完结]
discover 模块能计算加电荷么?
(0/158)
不是人间焰火
2011-08-19
2011-08-19 15:32:11
by
不是人间焰火
[
MS
]
Spin(har)是代表什么?
(3/937)
zdsk
2011-08-18
2011-08-19 14:21:11
by
zdsk
[
MS
]
[已完结]
[关贴]
ms中导入含几个氨基酸残基的文件,用discover做minimization出错
(4/1298)
量化新手
2011-08-18
2011-08-19 08:45:27
by
量化新手
[
MS
]
DPD模拟微相半径如何求呢
(0/208)
466902981
2011-08-18
2011-08-18 17:25:17
by
466902981
[
MS
]
[已完结]
在CASTEP中K-point数量测试疑问
(0/1029)
yangger
2011-08-18
2011-08-18 17:10:27
by
yangger
[
MS
]
【求助】现在大半径碳纳米管的掺杂 建立超胞要计算多少个原子
(5/822)
zhanglx8632
2011-04-10
2011-08-18 16:11:26
by
mengnan0501
[
MS
]
[已完结]
形成能为正值计算没有意义吗
(2/1455)
zhuguomin1
2011-08-17
2011-08-18 10:01:34
by
googledreams
[
MS
]
大家建立晶胞是直接导入MS自带的,还是自己手工建立?
(2/547)
飘在空中的雨
2011-08-17
2011-08-17 21:50:26
by
飘在空中的雨
[
MS
]
[已完结]
十六烷基三甲基溴化铵的分子模型如何建立
(0/187)
fyz_ok
2011-08-17
2011-08-17 17:16:28
by
fyz_ok
[
MS
]
[已完结]
分析结合能
(4/793)
nwx_ky
2011-07-17
2011-08-17 16:41:36
by
nwx_ky
[
MS
]
[已完结]
ms 建模 rebuilt-crystal后 的灵异事件
(5/664)
大果子2010
2011-08-16
2011-08-17 16:36:43
by
大果子2010
[
MS
]
[已完结]
怎么计算电荷转移的数量值
(5/5022)
slogger
2011-08-01
2011-08-17 16:32:01
by
frank_zhan
[
MS
]
[已完结]
表面吸附
(1/316)
zhouyj999
2011-08-17
2011-08-17 15:04:41
by
huazhorg
[
MS
]
[已完结]
选择“use formal spin as inital”计算后,优化完的结果怎么看它的自旋多重度
(8/1294)
buddy_84
2011-08-13
2011-08-17 10:54:00
by
buddy_84
[
MS
]
[已完结]
求ms5.5能用的license!!
(1ST强帖+1)
(9/1648)
ljh-000
2011-08-03
2011-08-17 10:37:46
by
zdsk
[
MS
]
吸附和负载是一样的吗?
(1/891)
飘在空中的雨
2011-08-15
2011-08-16 23:11:33
by
feass2
[
MS
]
[已完结]
DMol3 常用设置问题
(2/1523)
zhuzisummer
2011-08-15
2011-08-16 15:09:54
by
zhuzisummer
[
MS
]
如何采用第一性原理计算H原子在Cr2O3晶体表面的吸附和在晶体中的扩散
(7/2244)
yqhkevin
2011-08-09
2011-08-16 10:30:34
by
yqhkevin
[
MS
]
[已完结]
Dmol计算FITC分子的optics总是内存不够
(1/365)
石头2726
2011-08-15
2011-08-15 19:36:56
by
uuv2010
[
MS
]
【求助】关于过渡态和热力学性质
(4/1079)
emma82
2010-07-15
2011-08-15 19:31:59
by
uuv2010
[
MS
]
[已完结]
计算时metal 的设置
(5/921)
飘在空中的雨
2011-08-02
2011-08-15 16:39:27
by
rll
[
MS
]
[已完结]
CASTEP计算出来的TiO2 DOS图导带部分不劈裂
(1/315)
飘在空中的雨
2011-08-15
2011-08-15 15:27:48
by
bashen1
[
MS
]
[已完结]
MS建模时如何将两个structure按照自己的意愿连接起来
(5/1613)
vaspstudy
2011-08-13
2011-08-15 11:17:14
by
vaspstudy
[
MS
]
[已完结]
正交的石墨烯如何画
(0/777)
pzhlaiqi
2011-08-14
2011-08-14 13:44:08
by
pzhlaiqi
[
MS
]
[已完结]
MS多面体构建失败
(4/1436)
yeahnet
2011-08-13
2011-08-14 09:19:58
by
sunyang1988
[
MS
]
[已完结]
CASTEP计算半导体是否使用metal选项
(6/2589)
eyreqiao
2011-06-17
2011-08-13 13:17:07
by
QuenZ
[
MS
]
[已完结]
有没有人用ms计算过蛋白质啊,结果怎么样
(0/222)
量化新手
2011-08-12
2011-08-12 20:26:49
by
量化新手
[
MS
]
MS-CASTEP-计算总时间
(1/238)
zjj760120
2011-08-10
2011-08-12 19:58:06
by
zdsk
[
MS
]
[已完结]
MS中Castep,计算绝缘体的一些设置问题
(1ST强帖+1)
(2/1697)
宏hong
2011-05-31
2011-08-12 19:39:12
by
zdsk
[
MS
]
[已完结]
关于population analysis计算的错误信息
(0/829)
dlthl
2011-08-12
2011-08-12 10:01:44
by
dlthl
[
MS
]
[已完结]
分子结构建立软件?
(0/377)
sss3012
2011-08-11
2011-08-11 23:57:12
by
sss3012
[
MS
]
[已完结]
那位高手能告诉我In2O3的cif文件。
(2/471)
icsar
2011-08-11
2011-08-11 19:35:15
by
icsar
[
MS
]
【求助】关于MS计算得到的总能问题
(5/900)
llg1987
2011-04-13
2011-08-10 15:50:11
by
zdsk
[
MS
]
【求助】(energies not corrected for finite basis set) ??
(15/3331)
muzi1984
2011-03-08
2011-08-10 15:49:02
by
zdsk
[
MS
]
关于CASTEP的几何优化的两个疑惑。希望大家一起讨论讨论
(6/2261)
Tea_Candy
2011-08-07
2011-08-10 10:43:03
by
dxcharlary
[
MS
]
[已完结]
[关贴]
ms中Amorphous Cell模块使用时出现以下问题,请帮帮忙啊
(0/1312)
量化新手
2011-08-09
2011-08-09 21:50:16
by
量化新手
[
MS
]
[已完结]
如何分析castep计算得到的光学性质图谱
(4/2471)
guolianshun
2011-06-07
2011-08-09 21:18:47
by
seekerboy
[
MS
]
[已完结]
提交到服务器上工作,马上断了,显示License的问题。ms5.0上计算
(
1
2
)
(14/2443)
量化新手
2011-07-21
2011-08-09 14:29:39
by
量化新手
[
MS
]
【求助】MS 5.5 安装完毕后,计算时失败
(10/2209)
nnwang
2011-03-18
2011-08-09 10:03:48
by
安德
[
MS
]
[已完结]
利用MS里的Dmol模块搜索过渡态不收敛
(5/1459)
cshcgy
2011-08-07
2011-08-09 09:33:56
by
cshcgy
[
MS
]
[已完结]
MS可以做电子传输模拟吗?用哪个模块可以做呢?
(1/294)
zhangw_bxx
2011-05-24
2011-08-08 17:24:16
by
kugou521
[
MS
]
[已完结]
initial spin 问题!
(2/744)
yoyo103108
2011-08-04
2011-08-08 17:24:11
by
uuv2010
[
MS
]
[已完结]
电荷缺陷形成能?
(0/789)
sss3012
2011-08-08
2011-08-08 12:39:25
by
sss3012
[
MS
]
[已完结]
求助Forcite模块的相关文献
(0/363)
李翔1986
2011-08-08
2011-08-08 11:45:44
by
李翔1986
15018
119/151
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