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[
热点
]
2024 - Atropisomerism in Asymmetric Organic Synthesis
asymmsyn
2026-02-08
刚刚
[
MS
]
[已完结]
projected dos 和partial dos 什么区别
(9/3190)
purplesdd
2013-10-16
2013-10-19 08:56:00
by
purplesdd
[
MS
]
【放弃求助】谁知道VAMP模块的精度和参数设置
(6/1501)
qiangwxr
2010-09-01
2013-10-18 20:25:29
by
zidane611
[
MS
]
[已完结]
求助文献
(1/317)
wsm1973a
2013-10-18
2013-10-18 16:50:15
by
怒冲星河
[
MS
]
[已完结]
真心求助:如何用MS计算多元(至少3种元素及以上)相结构的稳定性(如形成能等)?
(2/774)
afu0007
2013-10-17
2013-10-17 22:10:20
by
afu0007
[
MS
]
[已完结]
在MS中如何建立Au20四面体结构?
(0/954)
金柱
2013-10-17
2013-10-17 18:03:50
by
金柱
[
MS
]
态密度图中了解磁矩
(1/1364)
gsq920306278
2013-10-17
2013-10-17 17:41:17
by
xzy401633
[
MS
]
[已完结]
态密度问题求正解
(9/2684)
purplesdd
2013-10-15
2013-10-17 17:37:35
by
purplesdd
[
MS
]
[已完结]
怎样判断导带和价带位置?
(9/6793)
lyy7120118
2012-11-28
2013-10-17 13:20:21
by
wushiqiaowpp
[
MS
]
[已完结]
求助:MS优化参数设置----二元合金结构
(2/787)
fangyongxinxi
2011-11-26
2013-10-16 19:16:23
by
982665297
[
MS
]
[已完结]
吸附小分子
(1/546)
lxjpwz198856
2013-10-16
2013-10-16 16:06:22
by
zmrright
[
MS
]
【求助】关于杂质形成能的计算请教!
(14/1609)
shihuangzhe
2010-12-26
2013-10-16 13:45:54
by
sungjen
[
MS
]
[已完结]
形成能计算中,单原子能量计算问题。
(6/2451)
傻孩阿布
2013-04-22
2013-10-16 13:32:29
by
sungjen
[
MS
]
【求助】继续讨论关于形成能的问题
(
1
2
)
(15/2078)
xiaobai216
2010-10-27
2013-10-16 13:28:20
by
sungjen
[
MS
]
【求助】急!!MS如何算晶体Si的结合能
(4/2912)
piaoxue001
2010-06-10
2013-10-16 12:52:32
by
sungjen
[
MS
]
[已完结]
态密度问题求正解
(2/574)
purplesdd
2013-10-16
2013-10-16 11:58:22
by
purplesdd
[
MS
]
[已完结]
CASTEP优化求解
(
1
2
)
(10/1493)
画心
2013-10-10
2013-10-16 09:57:16
by
画心
[
MS
]
[已完结]
跪求Materials-studio在window7的安装步骤
(1/415)
西北偏北1092
2013-10-15
2013-10-15 21:30:49
by
cumt蝈蝈
[
MS
]
[已完结]
[关贴]
MS中,关于掺杂碳纳米管的建模问题,求教
(0/980)
leanner
2013-10-15
2013-10-15 20:12:50
by
leanner
[
MS
]
[已完结]
[关贴]
Mo2C计算dos时外层电子问题,很困惑
(3/458)
purplesdd
2013-10-14
2013-10-15 14:49:12
by
purplesdd
[
MS
]
小弟已经泪崩,跪求大神搭救。。。
(26/2939)
ning007
2013-10-06
2013-10-15 13:20:37
by
ning007
[
MS
]
【求助】相变压力
(5/1766)
true11
2011-03-18
2013-10-15 10:35:35
by
迷途大书童
[
MS
]
[已完结]
掺杂后体系的Total Energy应该比掺杂前大还是小?
(8/1419)
lzn_t
2012-09-26
2013-10-15 07:46:16
by
sungjen
[
MS
]
[已完结]
晶体形成焓值越大,结构越稳定?
(1/2470)
151637
2013-10-14
2013-10-14 19:27:45
by
lq6865387
[
MS
]
[已完结]
MOF按固定位置掺杂Li后怎么让掺杂后MOF具有周期性,成为晶包
(1/320)
ligesi
2013-09-08
2013-10-14 16:52:59
by
ligesi
[
MS
]
小弟是初学,刚开始接触计算, 声子色散曲线图中都可以看出什么信息啊
(4/2478)
隔壁小马
2013-10-11
2013-10-14 15:16:10
by
迷途大书童
[
MS
]
[已完结]
用CASTEP计算磁性体系的单点能时,为什么体系会有初始的铁磁变成亚铁磁?谢谢!
(3/682)
奋力拼搏
2013-08-15
2013-10-14 12:10:30
by
xzy401633
[
MS
]
[已完结]
castep计算无机晶体能带结构设置问题
(2/816)
zhugezilong
2013-08-28
2013-10-14 11:28:58
by
xzy401633
[
MS
]
[已完结]
知道如何确定6.25%Ni掺杂ZnO(2*2*2超晶胞)最稳定结构?截止能取多少啊?
(2/689)
学员gQrpKs
2013-10-13
2013-10-14 09:51:48
by
1989luyihong
[
MS
]
[已完结]
求一个典型的焦绿石结构文件A2B2O6O'型的
(1/314)
sunbin0322
2013-10-13
2013-10-14 09:45:33
by
nicolemikeyi
[
MS
]
[已完结]
新手请教initial spine 设置问题
(0/466)
yangyangwlhx
2013-10-13
2013-10-13 20:42:50
by
yangyangwlhx
[
MS
]
[已完结]
MS新新新人求助 MS里怎么在铝基上建立氧化铝层并且测试性能
(3/688)
luyifanfan
2013-10-08
2013-10-13 19:28:36
by
luyifanfan
[
MS
]
[已完结]
[关贴]
有机晶体拉曼光谱计算求助
(1/741)
雁过无痕
2013-10-03
2013-10-13 17:06:13
by
雁过无痕
[
MS
]
CASTEP切面问题
(4/1231)
SouW2014
2013-10-09
2013-10-13 15:08:11
by
sunboyccc
[
MS
]
[已完结]
CASTEP计算Raman谱如何设置参数?
(金币≥5)
(2/124)
shengfengyu
2011-05-19
2013-10-13 14:02:26
by
雁过无痕
[
MS
]
位置多的拉曼活性
(1/333)
gudutu19@126
2012-07-12
2013-10-13 13:59:16
by
雁过无痕
[
MS
]
[已完结]
final energy、Final free energy (E-TS)、NB est. 0K energy (E-0.5TS)
(1/1992)
Brilliantly
2013-10-12
2013-10-13 13:21:17
by
Brilliantly
[
MS
]
[已完结]
Castep 算的这个介电函数如何分析
(0/2913)
jieren2013
2013-10-13
2013-10-13 12:03:48
by
jieren2013
[
MS
]
[已完结]
MS的建模问题
(0/304)
只开一次的竹
2013-10-13
2013-10-13 09:32:28
by
只开一次的竹
[
MS
]
[已完结]
castep收敛问题
(4/1962)
zzjjungle
2012-10-11
2013-10-13 05:57:16
by
1134684571
[
MS
]
[已完结]
sp2~~sp3 键
(8/1131)
李佳佳佳
2013-05-09
2013-10-12 17:02:38
by
KalaShayminS
[
MS
]
[已完结]
在结构优化时为什么k点会自动改变?
(7/966)
Brilliantly
2013-10-11
2013-10-12 09:50:18
by
Brilliantly
[
MS
]
[已完结]
同一原子不同价态掺杂TiO2应该怎么替换?请教各位前辈
(0/926)
衔走阳光
2013-10-11
2013-10-11 11:30:37
by
衔走阳光
[
MS
]
[已完结]
[关贴]
n型掺杂后,杂质能级是否能进入导带?
(1/592)
yangchengxu
2013-10-11
2013-10-11 09:57:53
by
yangchengxu
[
MS
]
[已完结]
态密度图纵坐标单位的转换
(2/2639)
chongxiaoyu
2013-10-10
2013-10-11 08:49:19
by
lq6865387
[
MS
]
[已完结]
关于布局分析
(
1
2
)
(13/2529)
444239852
2013-10-08
2013-10-11 08:26:21
by
lq6865387
[
MS
]
[已完结]
castep中 正交结构的加压优化
(0/555)
li491312026
2013-10-10
2013-10-10 21:12:49
by
li491312026
[
MS
]
[已完结]
optados的使用
(0/437)
肖瑞春
2013-10-10
2013-10-10 20:44:45
by
肖瑞春
[
MS
]
[已完结]
MS中对每个模块额中文介绍
(5/1348)
白发魔女
2013-10-09
2013-10-10 17:39:56
by
奔跑的爷们
[
MS
]
用MS运算时出现了这种问题,求大神解答
(0/229)
水仔
2013-10-10
2013-10-10 16:50:44
by
水仔
[
MS
]
[已完结]
求助Ternary半导体的优化结构参数怎么与实验值相比?
(3/511)
375642546
2013-09-11
2013-10-10 13:41:02
by
375642546
[
MS
]
MS遇到了问题,大家帮忙解决一下
(
1
2
)
(12/2277)
jelly62
2011-10-18
2013-10-10 10:13:46
by
水仔
[
MS
]
[已完结]
CASTEP超胞边界上的原子为什么不能单个被替换?
(8/1968)
磊俊陈
2013-10-08
2013-10-10 08:40:19
by
磊俊陈
[
MS
]
【求助】关于形成能的大小问题
(
1
2
)
(14/2423)
yankai131
2010-06-14
2013-10-10 07:47:58
by
lijiao_112
[
MS
]
[已完结]
换了MS版本对计算数据有影响吗?
(5/1083)
gsq920306278
2013-10-06
2013-10-09 20:12:19
by
流水叮当
[
MS
]
MS5.5(Win XP)安装时必须要有网线吗,无线网络不行么?
(
1
2
)
(12/2185)
067080117
2011-11-19
2013-10-09 17:26:36
by
luoxuanhao
[
MS
]
[已完结]
求Cd2Nb2O7的cif文件
(1/428)
gaohong1399
2013-10-08
2013-10-09 10:45:35
by
nicolemikeyi
[
MS
]
[已完结]
求助:ms中如何建立立方和单斜的CuO
(0/369)
zhyhzbdx
2013-10-09
2013-10-09 10:43:22
by
zhyhzbdx
[
MS
]
【求助】MS计算CPU占用率问题,求教
(
1
2
)
(17/2237)
Excaliburn
2010-12-15
2013-10-09 06:35:40
by
愤怒的姿态
[
MS
]
【求助】MS在Linux下的并行计算问题
(5/1826)
byin
2010-06-24
2013-10-09 06:18:01
by
愤怒的姿态
[
MS
]
[已完结]
跪求:有没有什么资料详细的讲解用轨道杂化分析态密度图
(评阅-2)
(5/2575)
鱼儿的幸福窝
2013-10-08
2013-10-09 03:09:42
by
dxcharlary
[
MS
]
[已完结]
关于吸附的差分电荷密度图如何分析
(
1
2
)
(13/3846)
乡村之亭
2013-05-04
2013-10-08 17:50:38
by
fds329
[
MS
]
[已完结]
castp计算声子色散谱PhonDisp的时候,总是出现错误,请大家帮忙看一下什么问题。
(1/631)
0502114073
2013-10-07
2013-10-08 10:56:05
by
liping888
[
MS
]
[已完结]
求各位帮忙看一下这个图对不对
(2/354)
0502114073
2013-09-30
2013-10-07 18:53:55
by
liping888
[
MS
]
收敛测试的讨论
(14/2100)
菲顶顶
2012-11-20
2013-10-07 17:27:28
by
yangyangwlhx
[
MS
]
找个YFeO3原子的wyckoff位置怎么就那么难
(5/1106)
一刀胡
2013-10-01
2013-10-07 16:32:01
by
chenyuchen
[
MS
]
[已完结]
求各位看一下DOS图怎么解释
(6/793)
0502114073
2012-12-26
2013-10-07 15:59:03
by
liping888
[
MS
]
[已完结]
计算单点能的时候能量后面出现这句 energy not corrected for finite basis set
(0/1247)
yangyangwlhx
2013-10-06
2013-10-06 21:55:51
by
yangyangwlhx
[
MS
]
[已完结]
关于间隙掺杂N原子
(5/2011)
飘在空中的雨
2011-11-21
2013-10-06 18:11:23
by
zuocuiping
[
MS
]
[已完结]
ms计算本征晶体形成能的具体方法
(0/730)
keyanmuchong
2013-10-06
2013-10-06 16:33:16
by
keyanmuchong
[
MS
]
[已完结]
para文件中的nextra_bands是什么
(5/1609)
purplesdd
2013-10-03
2013-10-06 10:26:44
by
franch
[
MS
]
[已完结]
金属In晶体晶格常数 晶胞原子数目
(1/1228)
gavinqiqi
2011-09-21
2013-10-06 06:28:33
by
purplesdd
[
MS
]
[已完结]
求高手将以下computational method翻译成中文,专业术语太多不知道怎么翻译
(
1
2
)
(11/2321)
415999915
2011-12-27
2013-10-06 05:15:58
by
liqiya
[
MS
]
[已完结]
求助关于形成能的大小对实验的影响~
(0/331)
lijiao_112
2013-10-05
2013-10-05 20:07:29
by
lijiao_112
[
MS
]
[已完结]
请问,vasp和castep计算结构差别很大吗?
(1/499)
purplesdd
2013-10-05
2013-10-05 16:52:01
by
漫天飘雪
[
MS
]
[已完结]
计算所得的能量最低到底是什么能量呢?
(8/1311)
Brilliantly
2013-10-01
2013-10-04 12:04:15
by
lxc6680219
[
MS
]
[已完结]
初学者 关于castep对E-cut 测试 遇到的一些问题 求指导
(0/203)
yangyangwlhx
2013-10-04
2013-10-04 10:45:51
by
yangyangwlhx
[
MS
]
[已完结]
MS新手请教一个关于晶体建模的问题
(7/1657)
xmq135828
2013-10-02
2013-10-04 10:19:39
by
zuocuiping
[
MS
]
[已完结]
结构优化时 出了这个对话框 该如何解决 请高手指点
(0/221)
yangyangwlhx
2013-10-03
2013-10-03 20:16:03
by
yangyangwlhx
[
MS
]
[已完结]
求完整的中科大MaterialsStudio培训教程
(0/1566)
fyzhuhui
2013-10-03
2013-10-03 16:07:05
by
fyzhuhui
[
MS
]
[已完结]
Dmol3计算晶体的THz问题
(0/280)
龙山狮崖
2013-10-02
2013-10-02 01:18:44
by
龙山狮崖
[
MS
]
[已完结]
MS计算连网?
(0/370)
ssttssqq9118
2013-10-01
2013-10-01 10:27:28
by
ssttssqq9118
[
MS
]
[已完结]
几何优化过程
(
1
2
)
(14/1896)
youziyouzi
2013-07-04
2013-10-01 09:24:23
by
yangyangwlhx
[
MS
]
[已完结]
跪求:怎样看成键类型
(0/2140)
kcy87123777
2013-09-30
2013-09-30 15:31:19
by
kcy87123777
[
MS
]
[已完结]
Materials-Studio 6.1 (win7/64位) 安装过程中出现的问题
(2/1010)
Point_Chen
2013-09-23
2013-09-29 14:37:33
by
Point_Chen
[
MS
]
[已完结]
对原子旋转后坐标改变,怎么回事
(0/332)
quasimodo~
2013-09-29
2013-09-29 11:23:26
by
quasimodo~
[
MS
]
[已完结]
我是真的想哭了。建模方面求助。
(
1
2
3
4
)
(30/1750)
lijiao_112
2013-09-23
2013-09-29 09:54:09
by
xukun889490
[
MS
]
[已完结]
ms计算界面问题
(3/849)
寂寞流年
2013-09-25
2013-09-29 00:15:01
by
lx123ppp
[
MS
]
Dmol3 的计算结果可信度如何判定?
(1/442)
zmrright
2013-09-28
2013-09-29 00:03:04
by
huxiao.gl
[
MS
]
[已完结]
smearing到底选多大合适?
(8/1725)
hyliu0618
2013-01-16
2013-09-28 18:46:37
by
zmrright
[
MS
]
[已完结]
[关贴]
求教,关于使用MS建石墨烯超胞模型,然后导入vasp中运算
(4/1991)
前田庆次
2013-09-27
2013-09-28 15:57:07
by
前田庆次
[
MS
]
【求助】上哪查原子的化学势?
(1/1821)
zhenfeili
2010-11-17
2013-09-28 15:22:11
by
kugou521
[
MS
]
[已完结]
求一个标准的石墨烯能带结构图
(3/1011)
风雨彩虹1602
2013-09-14
2013-09-27 23:39:34
by
dxcharlary
[
MS
]
[已完结]
[b]求MS正版用户帮忙在官网下个文档[/b]
(0/202)
qzhost
2013-09-27
2013-09-27 22:48:41
by
qzhost
[
MS
]
[已完结]
castep constraints
(5/814)
wanby76
2013-09-27
2013-09-27 17:42:54
by
wanby76
[
MS
]
[已完结]
关于氧分子建模的讨论
(2/915)
学员AcTPy7
2013-09-26
2013-09-27 17:00:20
by
qq364085265
[
MS
]
[已完结]
优化结构时的自旋极化
(3/1464)
forfree
2013-09-27
2013-09-27 16:38:26
by
lu_wei07
[
MS
]
【求助成功】MS背景能转化为白色的么或者截图底色变为白色
(4/2894)
xk6891
2011-02-25
2013-09-27 13:11:57
by
yujingui
[
MS
]
[已完结]
求助materialstudio的4.1版本,谢谢
(0/212)
shixiaohui
2013-09-27
2013-09-27 10:43:30
by
shixiaohui
15017
83/151
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