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热点
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心脉受损
偏振片
2025-12-14
刚刚
[
MS
]
【求助】ms不能计算了,错误提示看不懂,请帮忙分析1
(4/383)
shiweimei
2009-02-09
2009-03-11 09:31:34
by
胡捣
[
MS
]
【求助】晶体建模
2
(2/171)
wwj_0905
2009-03-10
2009-03-11 09:06:05
by
wwj_0905
[
MS
]
【求助】MOF的显示问题
(
1
2
)
(15/684)
zyj8119
2009-02-22
2009-03-11 08:36:32
by
zyj8119
[
MS
]
【求助】castep优化错误信息,帮帮忙!
(2/160)
小木虫503
2009-03-10
2009-03-11 07:25:42
by
小木虫503
【求助】ubuntu8.04安装pwscf编译问题
(2/138)
cheapskate
2009-03-10
2009-03-10 22:06:35
by
cheapskate
[
MS
]
【求助】MS4.4无法计算
(3/679)
守望者7981
2009-03-09
2009-03-10 21:44:44
by
守望者7981
[
其他
]
关于设立值班版主的通知
(
1
2
)
(评阅+10)
(金币≥65535)
(10/180)
wuli8
2009-03-05
2009-03-10 11:56:55
by
zxzj05
[
MS
]
castep用的norm-conserving pesudopotential 或者ultrasoft pesudopotential 的势能图
2
(评阅-2)
(1/206)
golden22
2009-03-10
2009-03-10 10:38:13
by
zxzj05
【求助】RHEL4下inter集成显卡驱动的安装
(8/368)
chemozhang
2009-03-08
2009-03-10 09:54:40
by
tjpm
[
MS
]
请问 castep计算的能隙值在那里看呢?
(2/180)
xalixp
2009-03-09
2009-03-10 09:36:57
by
xalixp
[
MS
]
【求助】结构优化不收敛
(1/242)
小臭虫
2009-03-09
2009-03-10 08:21:02
by
gavinliu7390
[
其他
]
Post-doc Position Available
(0/127)
znet0201
2009-03-10
2009-03-10 02:42:01
by
znet0201
[
MS
]
求助:如何在MS中建立一个共聚物模型?
(1/134)
Dream-weaver
2009-03-09
2009-03-09 22:58:47
by
cel0303
[
MS
]
求助:MS中几种控温方法的用法??
(1/154)
点点儿
2009-03-09
2009-03-09 22:52:14
by
qasd
[
MS
]
【求助】计算机配置
(3/397)
守望者7981
2009-03-09
2009-03-09 22:11:48
by
sunsland
[
MS
]
【求文献】
(1/50)
wwj_0905
2009-03-09
2009-03-09 20:08:04
by
wwj_0905
[
MS
]
【求助】如何建立聚合物晶体结构
2
(1/101)
wwj_0905
2009-03-09
2009-03-09 19:53:21
by
wwj_0905
[
MS
]
【求助】关于优化聚合物结构
2
(1/106)
wwj_0905
2009-03-09
2009-03-09 19:52:55
by
wwj_0905
[
Wien2k&
]
[求助]登陆服务器命令
(2/103)
cheapskate
2009-03-09
2009-03-09 19:48:10
by
shiy
[
MS
]
[求助]如何我们用的ms如何查看版本?
(3/121)
hadone
2009-03-09
2009-03-09 18:52:37
by
qasd
[
MS
]
我的论文题目是ZnO.Bi:ZnO的第一性原理计算,不知道要看哪些文献?
(评阅-2)
(5/529)
050610727
2009-01-15
2009-03-09 18:43:03
by
cbFeng200881
【求助】几个化学势,计算形成能
(评阅+1)
(3/637)
程伟686
2008-11-22
2009-03-09 16:08:37
by
swordcdm
[
Abinit
]
【求助】AB INIT怎么加压?
(3/416)
tfh00
2009-03-06
2009-03-09 10:41:34
by
zxzj05
[
MS
]
【求助】MS 中固定原子分数坐标的问题
(6/736)
阿勇
2009-03-03
2009-03-09 10:24:51
by
阿勇
[
QE(Pwsc
]
[求助]fqha.x
(0/91)
lidonglin556
2009-03-09
2009-03-09 09:59:58
by
lidonglin556
[
MS
]
[求助]MS4.3里的高斯能不能进行BSSE计算
5
(0/101)
liujie5631
2009-03-09
2009-03-09 09:18:01
by
liujie5631
【求助】消除溶剂分子
(7/291)
renwenpo
2009-03-06
2009-03-09 09:08:41
by
renwenpo
【求助】不选自旋没有变化?
(6/669)
jinhongyan2009
2009-02-24
2009-03-08 21:53:01
by
ilyx8050
[
MS
]
这个是什么意思?谢谢!
(评阅-2)
(1/129)
xalixp
2009-03-06
2009-03-08 21:49:07
by
sss3012
[
MS
]
[求助]optimize total spin after选项
(1/580)
yzcluster
2009-03-08
2009-03-08 21:39:42
by
sss3012
[
Wien2k&
]
[求助]利用wein2k如何画自旋密度图
(评阅+1)
(7/499)
fansw1129
2008-12-19
2009-03-08 21:36:59
by
yichenliu
[
MS
]
【请教】ZnMgO禁带宽度问题
(
1
2
)
(评阅+1)
(18/1693)
bytianping
2008-12-01
2009-03-08 20:52:08
by
amynliou
[
Abinit
]
【求助】(已解决)怎么优化锐钛矿型二氧化钛的晶格常数
(0/166)
kongkkk
2009-03-08
2009-03-08 20:10:26
by
kongkkk
[
MS
]
【求助】在MS中建模时,如何进行切割操作?
(评阅+2)
(6/1352)
sysboy
2008-12-06
2009-03-08 18:44:02
by
jiawdd
【求助】Material Studio 4.3 4.4版本xsd文件兼容问题
(5/867)
realac
2009-03-08
2009-03-08 18:21:32
by
cationly
[
MS
]
[求助]MS分子动力学模拟
(5/625)
jianchaoyv
2009-03-08
2009-03-08 15:33:23
by
qasd
[
MS
]
[求助] 请问关于掺杂的问题
(6/682)
好好学习772
2009-03-04
2009-03-08 11:02:13
by
quangel
[
MS
]
求助:自由原子能量
(3/283)
kuner
2009-03-07
2009-03-08 10:34:15
by
kuner
[
MS
]
【请教】:如果在CASTEP中建立一个薄膜的模型
(2/184)
ufoer
2009-03-08
2009-03-08 10:31:08
by
kuner
[
MS
]
请问这个在那里设置?
(评阅-2)
(6/351)
xalixp
2009-03-06
2009-03-08 10:04:56
by
quangel
[
MS
]
急求助第一原理可否计算复合材料的化学键键能或者键级类的如Ti-B等
(评阅-2)
(2/197)
ggs
2009-03-02
2009-03-08 01:38:32
by
ufoer
【求助】态密度中负值代表什么含有?
(7/1280)
idoldog
2009-03-07
2009-03-08 01:00:19
by
ufoer
[
MS
]
MS中可不可以计算钙钛矿结构氧化物能带结构随温度的变化
(评阅-2)
(5/860)
Ice163
2009-03-02
2009-03-08 00:53:21
by
ufoer
[
MS
]
MD模拟水的温度变化的问题
(3/296)
小~可
2009-03-06
2009-03-07 17:48:40
by
qasd
[
MS
]
【求助】键能问题
(0/122)
sailor805
2009-03-07
2009-03-07 14:41:10
by
sailor805
[
QE(Pwsc
]
【求助】热力学性质
(4/572)
Tina787
2008-12-15
2009-03-07 14:15:16
by
lidonglin556
[
MS
]
[求助]MS4.3里的高斯不能计算
(4/462)
liujie5631
2009-03-06
2009-03-07 11:54:11
by
zhengjinde
【求助】建立层状模型时如何设置层与层之间的距离?
(4/448)
mmyuan220
2009-03-06
2009-03-07 10:47:02
by
awpsr
[
MS
]
[求助]混合气体IAST理论
4
(0/258)
紊流
2009-03-06
2009-03-06 23:26:36
by
紊流
[
MS
]
Discover模块支持外加磁场吗?
(评阅-2)
(3/318)
sdlgz
2009-03-04
2009-03-06 22:35:41
by
dolphin100
[
MS
]
[求助]Materail Studio 4.4的运行问题
(3/316)
lycoco
2009-03-06
2009-03-06 18:28:37
by
lycoco
[
其他
]
求助:H2 H2O的分子轨道解释
(2/201)
wqg1806
2009-03-05
2009-03-06 18:14:52
by
wqg1806
【求助】vasp输入文件问题
(
1
2
)
(11/838)
乐乐9138
2009-02-25
2009-03-06 15:01:31
by
dazao
[
MS
]
(求助)极化问题
(
1
2
)
(10/820)
jinhongyan2009
2008-11-05
2009-03-06 12:14:18
by
ilyx8050
【求助】gamess的使用
(5/332)
043114076
2009-03-05
2009-03-06 01:42:47
by
yalefield
[
Wien2k&
]
【求助】谁有wien2k计算的范例?
(
1
2
)
(10/564)
Wanghui6383
2009-02-11
2009-03-06 01:10:40
by
kuner
[
Wien2k&
]
【求助】Wien2k软件下载
(6/956)
pptang
2009-02-25
2009-03-05 21:56:36
by
kuner
[
MS
]
<求助> 如何计算半导体材料(如ZnO)价带顶的能级
(3/549)
sss3012
2009-03-04
2009-03-05 21:04:10
by
kuner
【求助】集群用户挂载
2
(4/575)
raul0716
2008-12-10
2009-03-05 19:19:21
by
coolrainbow
[
MS
]
【求助】:关于discover
(0/76)
xutianjun
2009-03-05
2009-03-05 19:11:37
by
xutianjun
【求助】请帮忙看看这幅能带图的错误
8
(金币≥20)
(7/113)
idoldog
2009-03-04
2009-03-05 18:22:42
by
y1ding
[
MS
]
[求助]用dmol3搜索过渡态时的问题
(评阅-2)
(1/395)
jnjnsun
2009-03-05
2009-03-05 16:11:47
by
yzcluster
[
其他
]
【求助】购买计算机服务器
(1/269)
ustc
2009-03-05
2009-03-05 15:48:11
by
ytu_cyc
[
MS
]
[求助]关于添加剂在金属表面的吸附模拟
5
(2/198)
kakaxisensee
2008-11-25
2009-03-05 12:20:43
by
qasd
[
MS
]
求助:MS建模,自组装单层分子吸附物SAM
(1/424)
mmyuan220
2009-03-05
2009-03-05 12:19:38
by
qasd
[
QE(Pwsc
]
『求助』PWSCF运行问题
(
1
2
)
(10/676)
bearpow
2009-02-03
2009-03-05 12:11:52
by
老虎大王
[
MS
]
溶剂相容性的动力学模拟
(0/110)
laoda402
2009-03-05
2009-03-05 10:41:58
by
laoda402
[
Siesta&
]
【求助】linux版本VNL的安装问题
(2/222)
hejun8035
2009-01-11
2009-03-05 10:20:24
by
iamddba
[
MS
]
[求助] castep 安装4.4 lisence问题
(2/429)
舍得891
2009-02-23
2009-03-05 09:25:50
by
wuli8
[
MS
]
[求助]用MS做分子动力学模拟的大致步骤
(2/359)
jianchaoyv
2009-03-04
2009-03-05 08:22:20
by
renwenpo
[
MS
]
【求助】Discover模块支持外加电场么?
(5/282)
wwj_0905
2009-02-26
2009-03-04 23:10:08
by
sdlgz
[
MS
]
【求助】关于discover模块
(1/110)
黄随便
2009-03-04
2009-03-04 22:19:17
by
qasd
[
MS
]
【求助】画能带图只有点不画线可以吗?
(4/390)
idoldog
2009-03-04
2009-03-04 21:46:09
by
idoldog
[
MS
]
【求助】k点
(7/508)
effi903
2009-03-03
2009-03-04 20:05:22
by
jghe
【求助】xmanager 能不能用代理?
(2/177)
jghe
2009-03-03
2009-03-04 19:52:50
by
jghe
【求助】两种配置的电脑哪个好,急!!!
(
1
2
)
(13/644)
Wanghui6383
2009-03-03
2009-03-04 17:55:52
by
老虎大王
求助:Materials studio中用什么模块模拟多层膜?
(5/443)
yjmhkq
2009-03-03
2009-03-04 17:27:16
by
zplmff
[求助]文献下载
(2/93)
wwj_0905
2009-03-04
2009-03-04 10:48:06
by
dalongmao
[
MS
]
【交流】怎么做聚合物
(7/373)
466902981
2009-02-20
2009-03-04 10:17:19
by
466902981
[
MS
]
[求助]Dmol中electrostatic potential图怎么做出来?
(4/497)
castep
2009-03-02
2009-03-04 09:01:30
by
castep
[
MS
]
【求助】:关于Dmol3软件包
(0/185)
xutianjun
2009-03-04
2009-03-04 08:51:35
by
xutianjun
【求助】MS软件有哪些版本支持多核计算
(4/472)
canbill
2009-03-03
2009-03-04 00:12:07
by
yzcluster
[
MS
]
求助:进行动力学的目的是什么?
(2/151)
点点儿
2009-03-03
2009-03-03 20:56:51
by
zxzj05
[
MS
]
【求助】关于聚合物的性能的模拟分析
(2/124)
xutianjun
2009-03-01
2009-03-03 18:45:07
by
rjcdoudou
[
MS
]
[求助]有谁用MS计算过扩散系数?
(9/768)
甜滋滋的风
2009-02-12
2009-03-03 18:43:32
by
rjcdoudou
[
MS
]
[求助]MS 网关问题已经被高手解决
(8/726)
hefang2005
2009-02-23
2009-03-03 18:30:14
by
hefang2005
[
MS
]
【求助】计算不能收敛,新手就指导
(4/477)
nicholasyp
2009-03-03
2009-03-03 17:12:03
by
nicholasyp
【求助】如何计算两原子之间的键能?
(4/903)
jinhongyan2009
2009-03-03
2009-03-03 16:26:28
by
yzcluster
[
MS
]
[求助]请教一个问题。
(2/74)
deadbook
2009-03-03
2009-03-03 14:24:00
by
deadbook
[
MS
]
[求助]如何构建层状模型
(5/511)
amanda3536
2009-02-27
2009-03-03 14:11:54
by
sss3012
【求助】Discover能不能计算晶体??
(2/151)
wwj_0905
2009-03-02
2009-03-03 12:37:17
by
qasd
[
MS
]
[求助]关于用服务器进行计算
(7/491)
jianchaoyv
2009-03-01
2009-03-03 10:59:12
by
cationly
[
MS
]
求助:氢氧化镁的晶体结构
(1/502)
haina722
2009-03-03
2009-03-03 10:51:43
by
jinhongyan2009
[
MS
]
【求助】关于Hessian的选择
(0/80)
wwj_0905
2009-03-03
2009-03-03 10:18:26
by
wwj_0905
[
MS
]
[求助]怎么把原子序号标进结构?
(3/732)
zyj8119
2009-03-02
2009-03-03 08:33:41
by
zyj8119
[讨论]怎样用VASP计算缺陷能?
(5/1092)
xiaomagh
2009-02-20
2009-03-02 21:34:03
by
chemofish
[
MS
]
【求助】分子筛建模
(8/641)
玫瑰蜜
2008-08-26
2009-03-02 21:19:25
by
cel0303
[
MS
]
『求助』castep中关于磁性的设置
(
1
2
)
(11/1869)
daisyggg
2009-02-23
2009-03-02 20:22:04
by
crante
[求助]LMTO方法
(3/589)
lvjian8596
2009-03-02
2009-03-02 19:01:45
by
y1ding
[
MS
]
【求助】这个错误怎么解决?
(0/63)
wwj_0905
2009-03-02
2009-03-02 18:34:47
by
wwj_0905
9051
62/91
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