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第一性原理
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热点
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博士申请都是内定的吗?
青海清
2025-12-17
刚刚
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MS
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掺杂计算
(6/645)
BigBlackBear
2008-09-26
2008-09-27 10:30:41
by
BigBlackBear
[
MS
]
求助CASTEP
3
(7/508)
好好学习772
2008-09-25
2008-09-27 10:30:25
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solarman
[
Vasp&Me
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[求助]计算声子频率能解释什么问题
(3/538)
mermaid1128
2008-09-25
2008-09-26 22:01:31
by
yan_lee
【求助】如何读取chag_frm文件
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jieweiwei
2008-09-26
2008-09-26 21:42:38
by
monowolf
【求助】如何加切应力?
(5/710)
nextnest
2008-09-25
2008-09-26 17:18:09
by
nextnest
[
MS
]
[求助]关于亨利常数
(1/141)
紊流
2008-09-26
2008-09-26 16:36:06
by
xpyp
【求助】学习Materials-Studio
(2/303)
sunlong650
2008-09-23
2008-09-26 16:32:05
by
zzj811
[
MS
]
建立晶体模型和做castep运算需要什么晶体资料
(5/484)
zocyljj
2008-09-23
2008-09-26 16:30:13
by
zzj811
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MS
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Sn掺杂TiO2
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dingyongbo
2008-09-24
2008-09-26 16:08:15
by
amynliou
[
Vasp&Me
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very serious problems
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superest
2008-09-25
2008-09-26 13:49:37
by
y1ding
[
MS
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[请教]什么是Low-index晶面?
(4/494)
干冰388
2008-09-23
2008-09-26 12:03:18
by
干冰388
[
MS
]
[求助]有没有同学的demol程序在lunix并行机上运算过?
(2/140)
deadbook
2008-09-23
2008-09-26 08:20:18
by
deadbook
[
Vasp&Me
]
求PAW—GGA(Li,Nb,O,Co)谢谢
(0/103)
superest
2008-09-25
2008-09-25 21:02:15
by
superest
[
MS
]
讨论: 动力学计算如何设置速度或位移?
(1/85)
leerien
2008-09-25
2008-09-25 20:14:19
by
acridine
[
MS
]
【求助】求MS4.0的Linux版本
(1/132)
hhy_china
2008-09-25
2008-09-25 19:07:42
by
hhy_china
[
MS
]
求助,谁帮我下这些文章啊,谢谢!
(0/95)
apple11111
2008-09-25
2008-09-25 17:27:39
by
apple11111
[
Vasp&Me
]
阅读第一性原理的分子动力学文献时遇到的问题
(2/241)
xiong54wei
2008-09-24
2008-09-25 15:36:59
by
xiong54wei
[
MS
]
建了一个MS群68435997,欢迎相关人员加入哈!
(1/91)
jiawdd
2008-09-25
2008-09-25 15:05:24
by
wuli8
[
MS
]
求助:ms与gaussian03对接
(4/555)
elexware
2008-09-25
2008-09-25 13:36:36
by
elexware
[
MS
]
求助
5
(0/89)
好好学习772
2008-09-25
2008-09-25 12:15:11
by
好好学习772
[
Vasp&Me
]
求助 如何在vasp中考虑相对论效应
(2/168)
wenxuan5788
2008-09-24
2008-09-25 11:00:51
by
wenxuan5788
[
MS
]
求助:如何用MS建无定性薄膜?
(0/105)
susielan
2008-09-25
2008-09-25 10:52:34
by
susielan
[
MS
]
【求助】ELF值
(0/113)
jieweiwei
2008-09-25
2008-09-25 10:28:49
by
jieweiwei
[
MS
]
求各位帮帮忙!谢谢!
(0/80)
apple11111
2008-09-25
2008-09-25 09:46:42
by
apple11111
[
MS
]
求助:
(0/75)
elexware
2008-09-25
2008-09-25 09:35:58
by
elexware
【求助】lev00处理PDOS
(
1
2
)
10
(11/835)
xiaohong508
2008-08-02
2008-09-25 09:33:36
by
hakuna
[
Vasp&Me
]
(Help) About the optimized position.
(1/103)
bluce
2008-09-25
2008-09-25 09:31:16
by
yhjiangshiyu
[
MS
]
【求助】关于介电常数或折射率
(1/204)
lindlar0078
2008-09-23
2008-09-24 23:36:04
by
lindlar0078
[
MS
]
[求助】关于扩散
(0/112)
yuerainsea
2008-09-24
2008-09-24 16:22:39
by
yuerainsea
[
MS
]
【求助】在material studio 远程登陆使用时遇见问题,求助,
(3/529)
zocyljj
2008-09-23
2008-09-24 16:13:09
by
h1h2x3
[
MS
]
【求助】活性炭怎么做?
5
(0/212)
qli0218
2008-09-24
2008-09-24 15:21:16
by
qli0218
[
MS
]
请问MS4.2的linux的license能提供下吗?怎么安装
(0/107)
zocyljj
2008-09-24
2008-09-24 15:09:16
by
zocyljj
[
MS
]
[求助]请问如何将ccdc与MS4.3关联起来?
(0/112)
啃骨魔
2008-09-24
2008-09-24 11:27:47
by
啃骨魔
[
MS
]
求助:MD问题
(1/138)
elexware
2008-09-23
2008-09-24 08:31:53
by
tttl060
[
MS
]
求助 求版权
(1/150)
saitou
2008-09-22
2008-09-24 00:28:42
by
saitou
[
MS
]
求助:怎么可以把一个分子放在晶格的坐标原点
(4/225)
zsyf
2008-09-23
2008-09-23 21:36:10
by
zsyf
[
MS
]
【求助】电子局域函数
(4/574)
jieweiwei
2008-09-23
2008-09-23 21:18:08
by
jieweiwei
【求助】DMOL3算过渡态
(2/258)
sacharow
2008-09-22
2008-09-23 20:56:11
by
sacharow
[
Vasp&Me
]
反铁磁材料的导电性疑问
(2/124)
mermaid1128
2008-09-23
2008-09-23 17:30:13
by
mermaid1128
[
Vasp&Me
]
[求助]文件(Co、La、Ga),谢谢!
(2/98)
luolijin
2008-09-22
2008-09-23 17:00:43
by
luolijin
[
Vasp&Me
]
VASP OUTCAR charge issue[求助]
5
(3/403)
wcwang
2008-09-23
2008-09-23 16:49:56
by
sunray55
【求助】怎么在castep里建立AlN模型?
(4/473)
程伟686
2008-09-21
2008-09-23 16:16:32
by
程伟686
[
Vasp&Me
]
[求助]怎么看轨道磁距的大小
(1/191)
mermaid1128
2008-09-21
2008-09-23 12:58:06
by
sunray55
[求助]反铁磁计算问题请教!
(
1
2
)
1
(10/722)
matxiong
2008-09-23
2008-09-23 12:09:51
by
matxiong
[
MS
]
【求助】怎么显示生长氛围
(0/73)
jieweiwei
2008-09-23
2008-09-23 11:18:28
by
jieweiwei
[
MS
]
求MS软件
10
(9/679)
snorin
2008-09-22
2008-09-23 11:04:18
by
snorin
【求助】MS能做材料生长上的模拟吗
(3/376)
heanhe
2008-09-16
2008-09-23 08:32:23
by
solarman
[
Vasp&Me
]
VASP中的MAXMIX
(评阅-2)
(1/328)
xiong54wei
2008-09-22
2008-09-23 08:09:45
by
ApolloYang
[
MS
]
[求助]给粉末衍射标晶面指数 (indexing)
(1/180)
changjiang77
2008-09-22
2008-09-23 03:17:49
by
changjiang77
【求助】请教计算态密度的一个问题
(3/359)
hdh912
2008-09-22
2008-09-22 23:51:03
by
kuner
[
MS
]
求助
(2/92)
zocyljj
2008-09-22
2008-09-22 23:39:24
by
kuner
[
MS
]
[求助]:如何画光吸收谱图
(1/259)
heanhe
2008-09-22
2008-09-22 20:20:40
by
wuli8
[
Vasp&Me
]
[求助]PAW-LDA、PAW-GGA赝势文件(Co、La、Ga),谢谢!
(0/140)
luolijin
2008-09-22
2008-09-22 16:25:01
by
luolijin
[
Vasp&Me
]
[求助]谁能给我PAW-LDA赝势文件(Sr,Fe,O,Cr,Ca)啊,十分感谢
(0/88)
mermaid1128
2008-09-22
2008-09-22 15:52:43
by
mermaid1128
[
MS
]
求助:台湾李明宪CASTEP谁有给我发一个
(0/211)
knightsc
2008-09-22
2008-09-22 13:19:40
by
knightsc
[
MS
]
[求助] Discover 运行报错
3
(0/80)
tttl060
2008-09-22
2008-09-22 12:02:49
by
tttl060
【求助】在哪里能查到MS能识别的矿物的原子坐标?
(1/280)
super7
2008-09-22
2008-09-22 11:10:38
by
niliu
[求助]doscar文件里的0点是否就是fermi energy?
(6/679)
mermaid1128
2008-09-21
2008-09-22 10:30:29
by
lzb11123
【求助】:终端总是断掉
(3/322)
lxjuan
2008-09-21
2008-09-22 10:29:24
by
lzb11123
【求助】MS for linux无法安装
3
(7/480)
58153365
2008-09-20
2008-09-21 23:23:24
by
58153365
[
MS
]
[求助]哪位能提供MS4.3的下载啊
(0/111)
yoyohaqiu
2008-09-21
2008-09-21 18:00:46
by
yoyohaqiu
[
MS
]
[讨论]:无机矿物表面有机药剂的吸附
(2/406)
jingshanfeiyan
2008-05-13
2008-09-21 17:02:52
by
niliu
[
Vasp&Me
]
[求助]如何计算自旋交换参数J
(1/154)
mermaid1128
2008-09-21
2008-09-21 14:52:40
by
sunray55
[
MS
]
【请教】气泡均相成核和气泡生长进行计算机模拟
(0/104)
山泉无声
2008-09-21
2008-09-21 12:07:33
by
山泉无声
[
Vasp&Me
]
[求助]PAW-LDA赝势文件(Sr,Fe,O,Cr,Ca),谢谢
(0/113)
mermaid1128
2008-09-21
2008-09-21 10:48:56
by
mermaid1128
[
MS
]
求助:K点设置
(6/719)
zsyf
2008-08-27
2008-09-21 03:56:19
by
zq07047065
【求助】用discover做MD时遇到的问题
(
1
2
)
(14/1161)
lixiaowei
2008-05-08
2008-09-20 23:09:06
by
donkeypku
[
MS
]
【求助】MS中cluster计算节点分配问题
(2/144)
zhfuchun
2008-09-20
2008-09-20 22:20:44
by
zhfuchun
[
MS
]
请教大家一下:我该选择哪个研究方向?
(评阅-2)
(4/430)
jdy19862002
2008-09-08
2008-09-20 20:49:46
by
沙风
[
MS
]
[求助]Discover模块MD计算的问题
(2/362)
jingshanfeiyan
2008-05-19
2008-09-20 20:34:02
by
dolphin100
[
MS
]
[求助] 关于能带计算问题
(1/132)
liutao_jlu822
2008-09-20
2008-09-20 19:05:38
by
liutao_jlu822
[
MS
]
[求助]GaN掺杂后的一些问题及如何优化求得晶格常数
(2/350)
uragis
2008-09-20
2008-09-20 16:47:53
by
aylayl08
【求助】 discover里的尝试
(7/735)
harry_ll8228
2008-06-20
2008-09-20 15:48:13
by
zhp1006
[
MS
]
【求助】关于系综的问题
(4/403)
yijun0516
2008-06-30
2008-09-20 15:44:44
by
xiong54wei
[
MS
]
[求助]:晶体吸附面的确定
(
1
2
)
(13/1190)
jingshanfeiyan
2008-08-12
2008-09-20 15:16:18
by
zhp1006
[
MS
]
(求助)用命令行运行ms(stand alone)
(0/91)
h1h2x3
2008-09-20
2008-09-20 15:10:03
by
h1h2x3
[
MS
]
【求助】分析对相关函数出错
(1/110)
tttl060
2008-09-10
2008-09-20 14:58:43
by
zhp1006
[
MS
]
[求助]请问用MS可以进行分子动力学模拟吗?
(6/692)
benbei626825
2008-09-06
2008-09-20 14:51:41
by
zhp1006
【求助】请问如何计算吸附活化能?
(9/1784)
mengsk
2008-09-17
2008-09-20 10:31:49
by
mengsk
[
MS
]
【求助】MS 的license
(1/157)
elexware
2008-09-16
2008-09-19 22:54:19
by
kuner
[
MS
]
求助unix版本的ms4.2
(5/329)
fbgong
2008-09-17
2008-09-19 12:25:08
by
fbgong
[
MS
]
[求助] 分子动力学模拟问题
(8/902)
chunwang
2008-09-02
2008-09-19 12:18:26
by
chunwang
[
MS
]
【求助】哪里能下载到dmol3的linux 版安装软件?
(2/171)
yongtuo
2008-09-19
2008-09-19 11:07:19
by
yongtuo
[
MS
]
[求助] 在MS中怎么切取pt(111)-2√3×4超晶胞
(6/918)
hjhsbz
2008-09-16
2008-09-19 10:55:51
by
acridine
【求助】请教一个VASP问题:驰豫之后的静态计算时,ISTART和ICHARG设置
(
1
2
)
(评阅+1)
(15/2903)
zhuly
2007-12-24
2008-09-19 09:36:56
by
ztly128512
【求助】请问vasp中ELFCAR文件是做什么用的?
(3/392)
cuihang
2008-09-17
2008-09-18 22:48:02
by
gfei2008
[
MS
]
{球密堆积问题求助}
1
(0/89)
wm3738
2008-09-18
2008-09-18 20:28:23
by
wm3738
[
MS
]
请教如何切割晶面
(1/315)
payne
2008-09-18
2008-09-18 20:02:07
by
acridine
[
MS
]
【求助】MS中显示电中性
(
1
2
)
(12/834)
jieweiwei
2008-09-15
2008-09-18 16:27:57
by
jieweiwei
[
MS
]
[求助]高斯与MS的区别
(3/1368)
lcl211
2008-09-08
2008-09-18 13:59:09
by
limingscu
[
MS
]
【求助】smearing的值最多为多少?
(5/1285)
wll-violet
2008-09-17
2008-09-18 10:32:14
by
yhjiangshiyu
[
MS
]
【求助】MS装好后刚一运行作业就死掉
(7/464)
xiaowandouer
2008-09-08
2008-09-18 09:30:08
by
xiaowandouer
[
MS
]
【求助】DMol
(7/943)
effi903
2008-09-17
2008-09-18 09:21:49
by
effi903
[
MS
]
【求助】怎么显示生长氛围
(0/92)
jieweiwei
2008-09-18
2008-09-18 09:04:20
by
jieweiwei
[
MS
]
【求助】如何显示体系的电荷态
(0/87)
jieweiwei
2008-09-17
2008-09-17 21:24:35
by
jieweiwei
[
MS
]
[求助]castep中的设置问题
(1/201)
jzp2008
2008-09-17
2008-09-17 17:24:03
by
yhjiangshiyu
[
Vasp&Me
]
【求助】 vasp计算中runlog报错
(2/198)
flyman-1984
2008-09-16
2008-09-17 16:56:50
by
flyman-1984
[
Vasp&Me
]
[求助]vasp运行出问题,请帮帮我,谢谢。
(0/172)
yangprc
2008-09-17
2008-09-17 15:19:46
by
yangprc
[
MS
]
【求助】MS4.3能否用2*4核的CPU进行并行运算,以前只用过4核的,不知道双四核能否用?
(4/391)
wuqingming2003
2008-09-16
2008-09-17 14:37:23
by
wuqingming2003
[
MS
]
[求助】MS中LDA+U问题
(2/233)
s638638
2008-09-16
2008-09-17 14:28:08
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acridine
9051
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