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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】怎么用ms给直径变化的单壁碳纳米管建模?
(6/1725)
frank_zhan
2011-01-10
2011-01-14 22:53:35
by
Tower.Tsu
[
MS
]
【求助】求助
(4/324)
convenient
2011-01-13
2011-01-14 17:19:49
by
xianggui7895
[
MS
]
【求助】[font=宋体]CO2生成的I型水合物晶胞[/font]
(0/193)
zilang
2011-01-14
2011-01-14 17:19:32
by
zilang
[
MS
]
【求助】如何用CASTEP做分层态密度图
(2/559)
jgq880125
2010-11-28
2011-01-14 16:53:38
by
liuhongge1
[
MS
]
【求助】关于MS4.4的一个问题
(
1
2
)
(10/977)
llg1987
2011-01-02
2011-01-14 14:52:05
by
llg1987
[
MS
]
【求助】总是提交作业被非正常退出
(0/472)
zhenfeili
2011-01-14
2011-01-14 09:37:24
by
zhenfeili
[
MS
]
【求助】符号怎么移动啊
(4/872)
mk1599
2011-01-09
2011-01-13 21:45:56
by
zd777
[
MS
]
【求助】请教怎样用MS建立Al70Ni15Co15的模型。
(0/220)
wangla
2011-01-13
2011-01-13 17:27:23
by
wangla
[
MS
]
【求助】如何快速查找到原子占位情况?
(2/946)
kuailedandan
2011-01-12
2011-01-13 12:28:25
by
xianggui7895
[
MS
]
【求助】MS活性炭可以建模吗?
(1/734)
sunzhiguo
2011-01-12
2011-01-13 10:33:51
by
想飞的鱼85
[
MS
]
【求助】CASTEP的吸附dynamic以及吸附分子频率
(0/528)
houfeifan
2011-01-13
2011-01-13 09:18:53
by
houfeifan
[
MS
]
【求助】MS能做这样的图形吗
(5/579)
fulin
2010-12-28
2011-01-12 19:09:57
by
锐利的碎片
[
MS
]
【求助】如何用Dmol3计算金属表面能??
(0/364)
clszxh02
2011-01-12
2011-01-12 13:12:16
by
clszxh02
[
MS
]
【求助】计算小分子表面吸附问题!谢谢
(6/1068)
jdy19862002
2011-01-04
2011-01-12 09:46:39
by
xfy0423
[
MS
]
【求助】频率谱是如何光滑的?
(0/192)
hhuwanghui
2011-01-11
2011-01-11 21:52:01
by
hhuwanghui
[
MS
]
【求助】Dmol K-piont 设置问题
(8/590)
amywj
2010-12-30
2011-01-11 17:18:20
by
fangyuan5687
[
MS
]
【求助】求助
(1/224)
convenient
2011-01-11
2011-01-11 11:48:57
by
xianggui7895
[
MS
]
【求助】MS缺陷模拟
(1/369)
bingxing
2011-01-10
2011-01-11 09:23:33
by
zd777
[
MS
]
【求助】热力学数据分析
(2/766)
材料小宝宝
2010-12-31
2011-01-11 09:09:08
by
材料小宝宝
[
MS
]
【求助】castep 建模
(7/1644)
哭泣的luotuo
2010-12-28
2011-01-11 09:00:26
by
薛金祥
[
MS
]
【求助】gamma al2o3 建模时遇到困惑 帮帮我
(2/430)
cuimingshan
2011-01-10
2011-01-11 08:22:55
by
cuimingshan
[
MS
]
【求助】smearing
(1/3162)
number1xu
2011-01-10
2011-01-10 22:14:24
by
frank_zhan
[
MS
]
【求助】CASTEP结构优化
(0/247)
akun22951
2011-01-10
2011-01-10 19:52:35
by
akun22951
[
MS
]
[关贴]
【原创】哪位仁兄做过gamma-al2o3,能否交流交流?
(评阅-2)
(0/363)
cuimingshan
2011-01-10
2011-01-10 16:51:03
by
cuimingshan
[
MS
]
【求助】计算AFM的半导体时参数怎么设置?
(0/265)
gougou531
2011-01-10
2011-01-10 15:23:56
by
gougou531
[
MS
]
【求助】在用LDA+U计算性质时出现错误
(0/310)
gougou531
2011-01-10
2011-01-10 15:06:46
by
gougou531
[
MS
]
【求助】问下MS discover 如何加力
(金币≥1)
(1/53)
不是人间焰火
2011-01-10
2011-01-10 12:28:13
by
xianggui7895
[
MS
]
【求助】紧急求助
(评阅-1)
(2/320)
convenient
2011-01-09
2011-01-10 12:24:28
by
xianggui7895
[
MS
]
【求助】请高手指教啊!!
(4/594)
maxuesh
2010-12-26
2011-01-10 09:55:56
by
maxuesh
[
MS
]
【分享】5.12创腾MS高分子材料培训 专题讲座二[视频]
(
1
2
)
(53/1428)
simone389
2009-05-12
2011-01-10 09:42:46
by
zhangxixi1
[
MS
]
【求助】CASTEP计算能量
(2/542)
liangping3881
2011-01-09
2011-01-09 22:58:37
by
souledge
[
MS
]
【求助】CASTEP能量不收敛?
(2/1001)
xianggui7895
2011-01-07
2011-01-09 22:55:57
by
souledge
[
MS
]
【求助】能用Materials-studio计算氧化物的表示导电性或与导电性相关的指标吗?
(0/629)
yppp
2011-01-09
2011-01-09 22:35:02
by
yppp
[
MS
]
【求助】求教一下fp计算系统中各个物质所带电荷问题
(1/313)
xk6891
2011-01-08
2011-01-09 22:19:23
by
zzy870720z
[
MS
]
【求助】TS confirmation计算中出现的问题
(0/526)
charityqi
2011-01-09
2011-01-09 20:53:44
by
charityqi
[
MS
]
【求助】如何用MS查看高斯的计算结果
(2/602)
ter20
2011-01-07
2011-01-09 20:08:28
by
ter20
[
MS
]
【求助】如何计算化合物最可能构象
(0/400)
mountwar
2011-01-09
2011-01-09 19:50:49
by
mountwar
[
MS
]
【求助完毕】Windows下无法提交任务到Linux不运行
(5/553)
gongxd325
2011-01-07
2011-01-09 16:50:26
by
china1949
[
MS
]
【求助】MS安装
(11/889)
龙牙山
2010-12-26
2011-01-09 16:31:25
by
amynihao
[
MS
]
[关贴]
【求助】求助empty bands 设置,请具体说明怎么设置。
(1/575)
g.s923
2011-01-09
2011-01-09 12:12:57
by
dlthl
[
MS
]
【求助】MS4.4计算显示问题
(
1
2
)
(10/939)
aliceyu
2010-12-30
2011-01-08 22:37:16
by
lbambool
[
MS
]
【求助】c如何吸附在二氧化钛的表面
(
1
2
3
)
(20/1135)
guolianshun
2010-07-13
2011-01-08 22:12:26
by
zzy870720z
[
MS
]
【求助成功】急求linux中DMol3的inputfile脚本编写格式?
(2/453)
lwg020810
2011-01-07
2011-01-08 10:14:32
by
lwg020810
[
MS
]
【求助】dmol中间产物
(2/522)
charityqi
2010-12-29
2011-01-07 22:31:53
by
charityqi
[
MS
]
【求助】关于spin polarized的选项
(4/666)
dare
2011-01-06
2011-01-07 21:03:28
by
xianggui7895
[
MS
]
【其他】磁无序怎么用MS建模型
(0/379)
piao2004ha
2011-01-07
2011-01-07 18:43:01
by
piao2004ha
[
MS
]
【求助】过渡态搜索
(0/398)
charityqi
2011-01-07
2011-01-07 15:31:26
by
charityqi
[
MS
]
【求助】超胞的内原子坐标问题
(3/563)
guolianshun
2010-09-03
2011-01-07 15:19:13
by
guolianshun
[
MS
]
【求助】castep模块在加压的过程中如何获得应力应变曲线
(2/1105)
qx08131989
2010-12-18
2011-01-07 14:36:05
by
truemantwo
[
MS
]
【求助】MS使用perl语言编程,怎么计算有机分子从水相运动到有机相的自由能变化?
(2/445)
5858797
2011-01-07
2011-01-07 13:09:19
by
5858797
[
MS
]
【求助】MS建模后导出.celll文件出错是怎么回事
(8/1150)
夕阳西下
2011-01-06
2011-01-07 07:55:40
by
zzy870720z
[
MS
]
【求助】关于MS其他模块的教程
(5/898)
Excaliburn
2011-01-06
2011-01-06 21:48:27
by
lbambool
[
MS
]
【求助】大家看一下我的这个计算机配置行不行
(
1
2
)
(16/1304)
Excaliburn
2011-01-04
2011-01-06 18:28:26
by
gongjijun
[
MS
]
【求助】诡异的磁性
(5/773)
nodding
2011-01-06
2011-01-06 16:47:46
by
nodding
[
MS
]
【求助】求助,求助
(0/262)
dingwei8108
2011-01-06
2011-01-06 15:48:47
by
dingwei8108
[
MS
]
【求助】MS5.0能带计算问题?
(0/204)
ddang100
2011-01-06
2011-01-06 15:48:13
by
ddang100
[
MS
]
【求助】原子与分子物理学报怎么样
(15/2935)
liujie5631
2010-12-27
2011-01-06 10:38:49
by
hedaors
[
MS
]
【求助】纳米晶晶格常数变化表示。
(0/164)
liwh1990
2011-01-06
2011-01-06 10:13:14
by
liwh1990
[
MS
]
【求助】怎样画能带
(6/711)
convenient
2011-01-05
2011-01-06 09:55:04
by
convenient
[
MS
]
【求助】MS如何建立掺杂原子或者替位原子的模型
(1/1481)
夕阳西下
2011-01-05
2011-01-05 23:27:01
by
cg陈
[
MS
]
【求助】Barde charge 是什么东西?
(5/1123)
freshman8185
2011-01-05
2011-01-05 22:22:08
by
beefly
[
MS
]
【求助】请问在MS中怎么画出这个图?
(2/506)
缺心眼桌
2010-12-30
2011-01-05 21:18:40
by
夕阳西下
[
MS
]
【求助】催化反应过程中能垒
(1/2769)
沉默是金8138
2011-01-05
2011-01-05 16:38:37
by
ellsaking
[
MS
]
【求助】计算完之后没有结果怎么办
(6/514)
liuhongge1
2011-01-04
2011-01-05 15:35:15
by
liuhongge1
[
MS
]
【求助】castep计算dos时,返回文件有错
(1/152)
sendy
2011-01-05
2011-01-05 15:08:32
by
sendy
[
MS
]
【求助】声子计算
(金币≥10)
(7/121)
akun22951
2011-01-02
2011-01-05 14:20:52
by
akun22951
[
MS
]
【求助】N原子的能量计算
(6/1022)
zhanglx8632
2011-01-04
2011-01-05 13:09:01
by
zhanglx8632
[
MS
]
【求助】固定部分原子的分数坐标
(0/715)
astrolia
2011-01-05
2011-01-05 11:01:27
by
astrolia
[
MS
]
【求助】如何把分子简化成球体?如何设置呢?
(1/312)
5858797
2011-01-05
2011-01-05 10:21:01
by
zorro1984
[
MS
]
【求助】储氢的实验方面的求助
(2/306)
xuelian172
2010-12-30
2011-01-05 09:23:59
by
xuelian172
[
MS
]
【求助】MS计算技巧?
(0/214)
5858797
2011-01-05
2011-01-05 09:04:50
by
5858797
[
MS
]
【求助】周期性计算和团簇计算的区别
(1/480)
sunzhiguo
2011-01-04
2011-01-04 22:17:24
by
ym23
[
MS
]
【求助】请问有人做过离子吸附的吗?
(1/256)
wen0302
2011-01-03
2011-01-04 21:43:38
by
cg陈
[
MS
]
【求助】Lennard-Jones (LJ) potential是什么,在那里选
(2/1239)
sunzhiguo
2011-01-03
2011-01-04 21:32:52
by
ym23
[
MS
]
[关贴]
【求助】DFT筛选催化剂助剂
(0/267)
jdy19862002
2011-01-04
2011-01-04 21:24:35
by
jdy19862002
[
MS
]
【求助】MS能建立氟化物晶体模型么,像氟化镧之类的
(3/529)
不是人间焰火
2011-01-02
2011-01-04 19:05:11
by
ridge8888
[
MS
]
【求助】如何建立TiO2纳米管模型
(0/447)
dingniu2
2011-01-04
2011-01-04 17:45:06
by
dingniu2
[
MS
]
[关贴]
【讨论】MS5.0有linux版的吗?
(5/657)
gaussian08
2010-01-12
2011-01-04 10:04:03
by
youzhizhe
[
MS
]
【求助】请大家帮我分析一下态密度图
(
1
2
)
(13/1852)
zhangzhiweia
2010-10-05
2011-01-04 09:59:29
by
guolianshun
[
MS
]
【求助】CASTEP 中几何优化错误
(4/896)
xiaokun_0086
2010-12-28
2011-01-04 08:40:47
by
xiaokun_0086
[
MS
]
【求助】Gulp中的几何优化,MD等和Dmol3的中的有什么区别?
(
1
2
)
(11/2686)
麒麟半仙
2010-09-01
2011-01-03 23:46:20
by
cg陈
[
MS
]
【求助】CASTEP需联网吗?
(5/1133)
dlthl
2011-01-03
2011-01-03 21:32:47
by
shiqiuxiang
[
MS
]
【求助】求MS4.3或以上linux版
(1/301)
asaruda
2010-11-08
2011-01-03 19:45:07
by
llg1987
[
MS
]
【求助】CASTEP中电子密度单位?
(0/557)
freshman8185
2011-01-03
2011-01-03 10:27:09
by
freshman8185
[
MS
]
【求助】优化后晶胞参数变化很大怎么办。
(1/558)
heihu120
2011-01-02
2011-01-02 18:33:42
by
zzy870720z
[
MS
]
【求助】xtd不包含轨迹
(0/298)
realzhen5881
2011-01-02
2011-01-02 09:52:05
by
realzhen5881
[
MS
]
【求助】MS 中的gaussian模块和单独的gaussian 03等软件有什么区别
(评阅+1)
(1/711)
Excaliburn
2010-12-31
2011-01-01 23:54:06
by
pro_junjie
[
MS
]
【求助】为什么MS不能双核运行
(5/497)
CQC2010
2010-12-29
2011-01-01 17:07:52
by
CQC2010
[
MS
]
【原创】MS初级班讲义修改意见
(24/3451)
flymice
2010-12-22
2011-01-01 00:40:20
by
xjxj1xjxj
[
MS
]
【求助】MS5.0版计算出错,请高手指点,谢谢
(0/467)
nica
2010-12-31
2010-12-31 14:42:23
by
nica
[
MS
]
【求助】问一个运行MS计算的基本问题
(3/690)
xianggui7895
2010-12-30
2010-12-31 14:06:15
by
Excaliburn
[
MS
]
【求助】MS用哪个版本的比较好?
(3/485)
sikasun
2010-12-31
2010-12-31 13:58:39
by
Excaliburn
[
MS
]
【求助】MS5.5运行问题
(0/198)
aliceyu
2010-12-31
2010-12-31 13:41:12
by
aliceyu
[
MS
]
【求助】MS5.0中dmol3 计算分子轨道的问题
(0/669)
zeozhou
2010-12-31
2010-12-31 10:27:36
by
zeozhou
[
MS
]
【求助】用hessian矩阵算振动频率的问题
(2/662)
shaopeng6539
2009-06-28
2010-12-31 10:07:24
by
yasistar
[
MS
]
【求助】hessian
(2/323)
shaopeng6539
2009-09-08
2010-12-31 10:02:39
by
yasistar
[
MS
]
【求助】请问有人晓得用ms中的DMOL3怎么算频率吗?
(1/613)
huakai8710
2010-10-06
2010-12-31 09:54:12
by
yasistar
[
MS
]
【求助】MS 可以算金属的结构相变、态密度等吗?
(1/384)
ridge8888
2010-12-30
2010-12-31 09:21:14
by
材料小宝宝
[
MS
]
【求助】Linux 下MS计算
(评阅+3)
(7/1280)
sss3012
2010-12-28
2010-12-30 16:02:39
by
youzhizhe
[
MS
]
【求助成功】关于M-S运行出错的求助
(7/977)
llg1987
2010-12-28
2010-12-30 15:51:06
by
llg1987
15017
132/151
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