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[
热点
]
博士申请都是内定的吗?
青海清
2025-12-15
刚刚
[
MS
]
[已完结]
MS用cif文件建模的问题
(3/1093)
大堂9999
2013-04-25
2013-05-02 19:36:50
by
磊俊陈
[
MS
]
[已完结]
ms打开一会就 停止工作!!!
(
1
2
)
(15/2398)
xiaonei_wc
2011-05-20
2013-05-02 19:23:47
by
wuji11
[
Vasp&Me
]
[已完结]
[关贴]
关于候老师产生K点的小程序,哪里可以找到使用说明?
(1/492)
wkfan8988
2013-05-02
2013-05-02 15:07:29
by
阚敏
[
MS
]
[已完结]
怎样计算0.5eV处平带在Γ点的分子轨道分布图(DMol3,石墨烯纳米带)
(5/1220)
seuzzj
2013-04-28
2013-05-02 14:46:57
by
k_now
[
Wien2k&
]
[已完结]
Wien2k算纳米面是k点的设置问题
(1/470)
苦行客
2012-11-01
2013-05-02 13:59:45
by
wuli8
[
其他
]
[已完结]
[关贴]
透射谱,极化电荷密度图如何分析
(0/593)
dagewane63
2013-05-02
2013-05-02 13:57:56
by
dagewane63
[
Vasp&Me
]
[已完结]
求助能分开f电子的split-dos?
(0/228)
zhouyj999
2013-05-02
2013-05-02 12:23:08
by
zhouyj999
[
Siesta&
]
[已完结]
Cu的赝势测定
(6/900)
ylzhao
2013-04-29
2013-05-02 09:28:51
by
KalaShayminS
[
MS
]
[已完结]
D023-TiAl3的原子坐标
(0/463)
meimeidyh
2013-05-02
2013-05-02 08:20:32
by
meimeidyh
[
Vasp&Me
]
[已完结]
请教FeO超胞收敛问题
(4/1024)
hypnos
2013-03-06
2013-05-02 03:24:54
by
identation
[
MS
]
[已完结]
大家帮忙看一下我们实验室计算用的服务器
(0/2056)
大堂9999
2013-05-01
2013-05-01 17:24:42
by
大堂9999
[
MS
]
[已完结]
求助Morphology版块问题
(1/380)
ouyang1001
2013-01-05
2013-05-01 16:37:57
by
zy54382
[
MS
]
[已完结]
求助MS中分子的画图问题
(7/1125)
anmin0127
2013-04-30
2013-05-01 16:10:02
by
anmin0127
[
Siesta&
]
[已完结]
有很很小的带隙而透射谱却不为零,如图!
(0/325)
dagewane63
2013-05-01
2013-05-01 15:31:25
by
dagewane63
[
MS
]
[已完结]
差分密度分析?
(0/601)
444239852
2013-05-01
2013-05-01 14:40:15
by
444239852
[
MS
]
[已完结]
matlab编程
(1/740)
baohutian
2013-04-30
2013-05-01 10:57:39
by
tianyaba
[
QE(Pwsc
]
[已完结]
电声耦合常数在什么范围内算弱耦合、中等耦合、强耦合?
(1/1771)
Local_Spin
2013-04-30
2013-05-01 10:57:01
by
tianyaba
[
热点前沿
]
[已完结]
DMOL3做分子吸附
(
1
2
)
(10/1962)
cruade2010
2013-04-28
2013-05-01 10:41:37
by
xyzzz986
[
MS
]
[已完结]
MS模拟求助。。急求。。
(
1
2
)
(17/1545)
xiaoji134679
2013-04-10
2013-05-01 09:03:09
by
xiaoji134679
[
热点前沿
]
[已完结]
做材料用作气体的分离或者提纯
(0/226)
vasp001
2013-04-30
2013-04-30 23:37:39
by
vasp001
[
MS
]
[已完结]
请高手指点下分析MS计算的能带图、态密度图、光学性质。有参考书吗,小虫很迷茫。
(8/1706)
hanyanxiao89
2012-08-22
2013-04-30 14:27:10
by
lifenchang
[
Vasp&Me
]
[已完结]
ELF计算BiFeO3孤对电子的问题
(
1
2
)
(10/2088)
byin
2012-05-21
2013-04-30 07:39:44
by
future_wl
[
Vasp&Me
]
[已完结]
石墨烯原胞与超晶胞能带为什么不同
(1/1965)
要坚强
2013-04-26
2013-04-30 00:22:40
by
nandagulou
[
其他
]
[已完结]
xcryden画图问题
(1/995)
endeavor2
2013-04-26
2013-04-30 00:19:17
by
nandagulou
[
QE(Pwsc
]
[已完结]
求助pwscf计算LDA+U,LDA+SO,LDA+U+SO,LSDA+U,LSDA+U,LSDA+U+SO的设置
(0/683)
nandagulou
2013-04-29
2013-04-29 23:13:01
by
nandagulou
[
Siesta&
]
[已完结]
求助siesta收敛问题
(3/952)
yangxuezhang
2013-03-14
2013-04-29 21:42:19
by
lu_wei07
[
MS
]
[已完结]
我的MS里没有Fe3O4的晶胞,不知道谁有啊,能否给发一个?
(3/866)
niuxiaoqi721
2013-04-28
2013-04-29 17:23:51
by
小芝芝
[
MS
]
[已完结]
求ssh的下载链接和安装使用教程
(2/361)
大堂9999
2013-04-29
2013-04-29 16:36:08
by
大堂9999
[
Vasp&Me
]
[已完结]
bader分析
(3/936)
xiaoluoj
2013-03-20
2013-04-29 10:21:19
by
KalaShayminS
[
热点前沿
]
[专家]
[已完结]
非gamma点处的虚频意味着什么?
(
1
2
)
(14/3096)
dxcharlary
2011-05-30
2013-04-29 02:08:48
by
identation
[
MS
]
[已完结]
MS 6.0中有关gateway server register
(5/978)
学员LTJlPo
2013-04-28
2013-04-28 21:50:26
by
qingfengyi
[
Vasp&Me
]
[已完结]
结合能与化学势求教
(7/748)
lzlgcdc
2013-04-26
2013-04-28 19:40:46
by
lzlgcdc
[
热点前沿
]
[已完结]
共价有机骨架如何建模
(0/456)
378287892
2013-04-28
2013-04-28 16:18:50
by
378287892
[
Vasp&Me
]
[已完结]
用VASP 计算LO-TO splitting
(
1
2
)
(12/2486)
fliablepig
2012-03-29
2013-04-28 15:38:21
by
WDD880227
[
热点前沿
]
[已完结]
含N原子化合物生成焓的计算
(0/425)
janet2012222
2013-04-28
2013-04-28 12:48:47
by
janet2012222
[
Vasp&Me
]
[已完结]
怎么计算vasp优化结果的β电荷?
(2/385)
lobster500
2013-04-26
2013-04-28 10:56:20
by
171713294
[
MS
]
[已完结]
帮我看一下:做光电纳米材料计算这个硬件配置行不行?
(1/518)
wulindong
2013-04-26
2013-04-28 10:26:57
by
小红豆
[
MS
]
[已完结]
DMOL3中频率计算问题
(3/1672)
a94259425
2013-04-27
2013-04-28 10:22:51
by
书万里
[
Vasp&Me
]
[已完结]
如何处理layer结构的晶体?
(0/231)
pariah
2013-04-28
2013-04-28 10:13:41
by
pariah
[
MS
]
[已完结]
表面的氧化性计算
(0/460)
differe
2013-04-28
2013-04-28 09:48:16
by
differe
[
热点前沿
]
[已完结]
关于金属离子与有机物聚合(配合)的分析
(0/667)
anmin0127
2013-04-28
2013-04-28 01:14:53
by
anmin0127
[
MS
]
[已完结]
CASTEP 处理静电势图
(4/2481)
李佳佳佳
2013-03-13
2013-04-27 19:51:54
by
李佳佳佳
[
Vasp&Me
]
[已完结]
VASP如何计算磁电系数?
(7/967)
donggaomin
2012-10-19
2013-04-27 13:10:09
by
幻灭牙
[
Siesta&
]
[已完结]
ATK 两极计算自洽不收敛
(0/519)
njuxyh
2013-04-27
2013-04-27 10:41:47
by
njuxyh
[
MS
]
[已完结]
怎么移动原胞中的原子
(7/3678)
aisinia
2013-04-22
2013-04-27 10:02:59
by
ytudou
[
MS
]
[已完结]
[关贴]
求MS安装过程中需要的temporary license password
(5/3305)
ytudou
2013-04-06
2013-04-27 09:54:48
by
ytudou
[
Vasp&Me
]
[已完结]
vesta做电荷密度差分方法分析
(0/880)
mitong
2013-04-27
2013-04-27 09:50:55
by
mitong
[
Vasp&Me
]
[已完结]
vasp说明书
(1/278)
lbing9002
2013-04-22
2013-04-27 08:51:03
by
lbing9002
[
Vasp&Me
]
[已完结]
VASP如何加电场计算
(5/2079)
fengnan127
2013-04-11
2013-04-26 21:09:05
by
fengnan127
[
Vasp&Me
]
[已完结]
VASP并行失败,求助!
(0/666)
舞昂琦VoVo
2013-04-26
2013-04-26 18:56:18
by
舞昂琦VoVo
[
MS
]
[已完结]
高手帮忙!!急啊
(0/333)
zhywind200
2013-04-26
2013-04-26 16:46:37
by
zhywind200
[
Vasp&Me
]
[已完结]
新手求助VASP导出坐标的问题
(0/284)
shiyd05
2013-04-26
2013-04-26 15:09:42
by
shiyd05
[
MS
]
[已完结]
Dmol能否单独设置电荷?
(0/197)
aaq2800
2013-04-26
2013-04-26 14:57:44
by
aaq2800
[
MS
]
[已完结]
【求助】 DMOL3中关于自旋多重度的设置
(1/1469)
zzlthrive
2012-04-23
2013-04-26 14:10:45
by
kcy87123777
[
Vasp&Me
]
[已完结]
xcrysden画费米面怎么显示坐标轴
(3/1401)
花无刺
2013-04-25
2013-04-26 12:28:26
by
刘仕晨
[
MS
]
[已完结]
电荷密度分析
(7/1134)
youziyouzi
2013-04-25
2013-04-26 09:00:22
by
fds329
[
MS
]
[已完结]
有没有人做掺杂TiO2的第一性原理计算的
(7/1378)
飘在空中的雨
2011-05-06
2013-04-26 06:41:49
by
xingweiqiang
[
Vasp&Me
]
[已完结]
vasp 能否考虑海森伯交换作用呢?
(1/1274)
真情无价108
2013-04-20
2013-04-26 03:27:30
by
identation
[
MS
]
[已完结]
急求:多重度用什么字母表示
(0/904)
kcy87123777
2013-04-25
2013-04-25 22:36:08
by
kcy87123777
[
MS
]
[已完结]
Integrated Spin Density磁矩计算合理性
(0/572)
nsqhmily
2013-04-25
2013-04-25 20:13:21
by
nsqhmily
[
MS
]
[已完结]
CASTEP算声子太慢,怎么办
(2/855)
zhuzhudgyg
2012-11-24
2013-04-25 20:03:20
by
kervinzhao
[
其他
]
[已完结]
带隙测量
(0/451)
heechao
2013-04-25
2013-04-25 19:36:11
by
heechao
[
Vasp&Me
]
[已完结]
静态计算
(4/322)
lzlgcdc
2013-04-24
2013-04-25 18:58:52
by
lzlgcdc
[
热点前沿
]
[已完结]
相干势近似方法能算声子谱么?
(1/828)
deRien
2013-04-25
2013-04-25 17:48:59
by
DFPT
[
MS
]
[已完结]
MS中计算氨基酸的晶格能
(0/637)
珊珊83
2013-04-25
2013-04-25 16:14:13
by
珊珊83
[
Siesta&
]
[已完结]
siesta3.1 64位并行怎么编译安装?求高手指导~
(2/556)
云端星雨
2013-04-23
2013-04-25 16:11:57
by
KalaShayminS
[
Abinit
]
[已完结]
加压优化后能量更高????。。。。
(5/985)
若博特
2013-04-18
2013-04-25 15:01:50
by
yinwei_li
[
MS
]
[已完结]
MS的Dmol计算中的DIIS size 到底是什么意思?
(1/2215)
kcy87123777
2013-04-21
2013-04-25 14:08:23
by
chensxxy
[
MS
]
[已完结]
用cif文件导入到MS建的模是单胞吗?
(6/2831)
大堂9999
2013-04-24
2013-04-25 13:53:17
by
differe
[
Vasp&Me
]
[已完结]
化学势问题
(5/763)
lzlgcdc
2013-04-24
2013-04-25 13:39:21
by
lzlgcdc
[
资源
]
[已完结]
【求助】VASP计算bcc铁的能带,不知和哪篇文献核对能带图
(4/847)
hohoo居
2013-04-17
2013-04-25 12:23:28
by
kervinzhao
[
MS
]
[已完结]
ms中rattle
(0/365)
qingdong1990
2013-04-25
2013-04-25 10:51:34
by
qingdong1990
[
MS
]
[已完结]
xcd文件
(0/654)
tangjie1989
2013-04-25
2013-04-25 10:14:33
by
tangjie1989
[
MS
]
[已完结]
超胞能量计算问题
(8/1187)
傻孩阿布
2013-04-17
2013-04-25 08:50:25
by
傻孩阿布
[
热点前沿
]
[已完结]
各种结构(比如六方、四方)的弹性性质(G、B、v等)计算的书!求推荐
(1/438)
si_lian
2013-04-18
2013-04-25 08:04:36
by
kervinzhao
[
MS
]
[已完结]
关于钢中马氏体的晶格结构
(5/2584)
杨健yangjian
2013-04-10
2013-04-25 00:21:40
by
杨健yangjian
[
Vasp&Me
]
[已完结]
恳求各位前辈的帮助和指点!
(1/484)
wangchenju
2013-04-21
2013-04-24 20:28:13
by
chuanghua304
[
Vasp&Me
]
[已完结]
【求助】石墨烯掺杂charge transfer的理解
(1/419)
conperint
2013-04-24
2013-04-24 20:02:02
by
conperint
[
Vasp&Me
]
[已完结]
石墨烯来量子点运行出问题
(1/647)
liaoshime
2013-04-23
2013-04-24 18:20:53
by
liaoshime
[
QE(Pwsc
]
[已完结]
刚接触QE。做了石墨烯的能带和态密度,不是是否正确,求各位鉴定下
(
1
2
)
(19/2072)
异域神迹
2013-04-17
2013-04-24 16:23:04
by
gemucai
[
Siesta&
]
[已完结]
siesta关于偏态密度的问题
(0/447)
yangxuezhang
2013-04-24
2013-04-24 16:10:59
by
yangxuezhang
[
Vasp&Me
]
[已完结]
请教大家vasp一问题
(2/500)
lhcl
2012-07-11
2013-04-24 15:19:30
by
wl7171759
[
Vasp&Me
]
[已完结]
K点测试和encut 求教
(9/1140)
lzlgcdc
2013-04-19
2013-04-24 15:13:04
by
lzlgcdc
[
Vasp&Me
]
[已完结]
体系吸附单个原子,吸附能的计算,单个原子能量的计算要不要加ISPIN=2?
(4/2251)
Gina88
2013-03-01
2013-04-24 14:44:10
by
dazao
[
MS
]
[已完结]
周期性结果,真空层厚度怎么设置
(0/912)
USTC_STM
2013-04-24
2013-04-24 13:34:22
by
USTC_STM
[
MS
]
[已完结]
如何判断掺杂类型
(2/1642)
youziyouzi
2013-04-23
2013-04-24 09:11:14
by
youziyouzi
[
MS
]
[已完结]
MS如何画甲醇
(6/1160)
yahuifxlei
2013-04-22
2013-04-24 08:29:43
by
吕洁丽霞
[
Vasp&Me
]
[已完结]
VASP运行出错 大牛进来啊 啊啊啊
(4/733)
兜兜有颗糖
2013-04-19
2013-04-24 08:00:20
by
chuanghua304
[
MS
]
[已完结]
过渡态吸附研究
(2/544)
xlcwl04037105
2013-04-22
2013-04-23 23:31:32
by
xlcwl04037105
[
Vasp&Me
]
[已完结]
关于超级计算机和VASP
(
1
2
)
(13/2275)
c03185
2012-03-27
2013-04-23 19:51:43
by
fengangelo
[
其他
]
[已完结]
红外操作与分析
(2/454)
21128088
2013-04-22
2013-04-23 19:13:19
by
21128088
[
MS
]
[已完结]
四方和立方晶格如何有效建立界面?如何计算两者的匹配度?
(7/2008)
aaa我来嘞
2013-04-17
2013-04-23 19:03:18
by
aaa我来嘞
[
其他
]
[已完结]
Dzyaloshinskii − Moriya
(6/991)
苦咖啡酸苹果
2013-04-21
2013-04-23 18:30:28
by
wangww2011
[
MS
]
[已完结]
MS出现问题,请大家帮忙了
(3/484)
yaoxin1
2013-04-22
2013-04-23 18:01:31
by
神秘_EF
[
其他
]
[已完结]
N 掺杂SnO2第一原理计算遇到的问题
(3/590)
我是qiye
2013-04-20
2013-04-23 17:58:45
by
神秘_EF
[
Vasp&Me
]
[已完结]
磁矩计算咨询
(0/658)
zsh145
2013-04-23
2013-04-23 16:25:00
by
zsh145
[
MS
]
[已完结]
送红花N朵!MS怎么得出差分电荷密度图!
(5/2766)
anlen0615
2012-09-20
2013-04-23 16:11:42
by
winnersu
[
MS
]
[已完结]
用CASTEP计算合金缺陷能
(1/405)
mranbo
2013-02-24
2013-04-23 15:52:53
by
youziyouzi
[
Vasp&Me
]
[已完结]
这种情况下,WAVECAR被读入了吗?
(0/263)
wkfan8988
2013-04-23
2013-04-23 15:38:34
by
wkfan8988
[
MS
]
[已完结]
电子差分密度作图
(2/476)
只开一次的竹
2013-04-16
2013-04-23 15:29:47
by
youziyouzi
22596
165/226
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