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[
热点
]
申请2026年博士
wangduo1127
2025-12-14
刚刚
[
Vasp&Me
]
【求助】如何计算表面能及功函数?
(评阅+2)
(1/266)
lqxcts
2008-12-24
2008-12-24 15:32:57
by
fegg7502
[
Siesta&
]
SCI上能查到的引用过ATK的文章(2008年数据)1
(评阅+8)
(1/210)
Rosen-luo
2008-12-23
2008-12-24 15:16:42
by
Rosen-luo
[
Siesta&
]
Some information about ATK and VNL
(评阅+6)
(1/601)
yipinchun
2008-12-24
2008-12-24 15:02:03
by
yipinchun
[
Siesta&
]
经典文章推荐
(3/533)
Rosen-luo
2008-12-23
2008-12-24 13:52:47
by
giep2008
[
Siesta&
]
SCI上能查到的引用过ATK的文章(2008年数据)2
(3/392)
Rosen-luo
2008-12-23
2008-12-24 12:45:51
by
csfn
[
MS
]
【交流】关于向分子筛中添加小分子计算扩散的问题
(评阅+3)
(2/104)
raul0716
2008-12-22
2008-12-24 10:44:35
by
raul0716
【求助】任何做出t2g与eg劈裂的态密度
(8/1466)
wysong
2008-12-10
2008-12-24 09:19:58
by
wysong
[
MS
]
【求助】MS中可否构建置换固溶体类的晶体结构?
(4/1074)
jaic-kit
2008-12-16
2008-12-24 08:29:26
by
jaic-kit
【求助】Windows Linux双系统
(
1
2
)
(10/594)
xttide
2008-12-23
2008-12-23 23:02:38
by
xttide
[
MS
]
【求助】MS在windows2003下的不能运行(50个金币)
(评阅-19)
(6/296)
aaq2800
2008-12-23
2008-12-23 22:48:21
by
aaq2800
[
Siesta&
]
【求助】NDR效应的原因
(评阅+1)
(7/974)
yuan888
2008-12-22
2008-12-23 22:13:59
by
redhaier
[
MS
]
请教一下,MS怎样才能升级到4.4版本
(评阅-2)
(2/170)
pashanhu105
2008-12-23
2008-12-23 20:27:46
by
kuner
[
MS
]
[求助]ZnO晶胞中如何引入Cu离子掺杂
(7/712)
sss3012
2008-12-17
2008-12-23 19:33:56
by
aylayl08
[
MS
]
【求助]】K点如何设置
(评阅+1)
(3/509)
sss3012
2008-12-22
2008-12-23 18:48:39
by
css8170
[
Vasp&Me
]
表面计算求助
(评阅-2)
(2/152)
zhlc1985
2008-12-20
2008-12-23 18:45:36
by
TIGERYZZ
[
Siesta&
]
【求助】Electrostatic difference potential的问题
(评阅+1)
(2/125)
anyipeng
2008-12-23
2008-12-23 17:18:57
by
TIGERYZZ
[
MS
]
求助
(评阅+2)
(2/89)
风筝9680
2008-12-23
2008-12-23 13:53:40
by
ghcacj
请教缺陷问题,如何定义缺陷(杂质)的化合价?
(评阅-2)
(8/975)
wangzj
2008-06-20
2008-12-23 10:47:03
by
ztwang
【求助】形成能问题
(9/1030)
sunyongcan
2008-09-07
2008-12-23 10:03:27
by
liluyan
【求助】如何替换原子,不改变键长和键角
(评阅+1)
(7/768)
freshgirl
2008-12-22
2008-12-22 22:53:46
by
qasd
[求助]立方晶系的体模量如何计算?奖金币2!
(评阅+1)
(4/412)
jolly
2008-12-19
2008-12-22 22:38:28
by
zrfssh
[
Vasp&Me
]
【求助】Call ZHEGV failed?怎么解决?
(评阅+1)
(2/61)
cuihang
2008-12-22
2008-12-22 20:11:59
by
wuchenwf
[
Wien2k&
]
WIEN2K--计算最准确的量化软件
(9/1742)
wuli8
2008-11-25
2008-12-22 19:10:07
by
天空空
[
Siesta&
]
【请教】关于计算元素的基组设置
(评阅+1)
(4/394)
fan0221
2008-12-21
2008-12-22 18:38:17
by
fan0221
【求助】:跪求linux版本的materials studio
(0/125)
jingshanfeiyan
2008-12-22
2008-12-22 16:21:06
by
jingshanfeiyan
[
MS
]
求ms for linux的下载链接
(评阅-2)
(0/122)
trickle111
2008-12-22
2008-12-22 16:19:12
by
trickle111
[
MS
]
【讨论】用MS建立Ni3Sn时遇到问题
(评阅+3)
(1/89)
simon1226
2008-12-18
2008-12-22 13:34:11
by
css8170
[
MS
]
【求助】MS 计算气体在活性炭微孔内吸附[截止12.30号]
(4/571)
min7781
2008-12-12
2008-12-22 12:15:49
by
min7781
【求助】谁帮我分析一下这个态密度图?
(评阅+2)
(8/871)
ocean08
2008-12-19
2008-12-22 11:19:06
by
aylayl08
[
其他
]
【讨论】有没有ftp有效的资源?
(评阅+7)
(0/123)
yyx19840628
2008-12-22
2008-12-22 11:11:29
by
yyx19840628
【求助】请帮我看下这个结果
(评阅+1)
(3/248)
wwj_0905
2008-12-19
2008-12-22 10:20:13
by
wwj_0905
[
其他
]
【求助】求pgi7.2 以上的 license
(评阅+2)
(1/201)
redhaier
2008-12-21
2008-12-22 09:42:19
by
灯塔守望者
[求助] Lev00程序包
(评阅+1)
(3/412)
wenxuan5788
2008-12-21
2008-12-22 09:30:42
by
y1ding
[
MS
]
【求助】如何用MS建立一氧化碳分子
(4/850)
ghcacj
2008-12-11
2008-12-22 09:21:42
by
ghcacj
【求助】:如何安装wien2k,wien2k好用吗
(
1
2
)
(11/1545)
ymyang008
2008-05-12
2008-12-22 08:02:18
by
fansw1129
[
MS
]
【求助】请教如何计算晶体的晶格能
(评阅+1)
(0/164)
wustliang
2008-12-21
2008-12-21 22:11:33
by
wustliang
[
MS
]
[求助]如何在MS中建立水合阳离子的模型
(评阅+1)
(1/138)
cup_lee
2008-12-20
2008-12-21 22:01:54
by
qasd
[
MS
]
【求助】MS中Mullikon得到的charge和spin,还有HOMO轨道的等密度面的单位是?
(0/121)
wmm-11
2008-12-21
2008-12-21 20:36:23
by
wmm-11
[
MS
]
[求助]CASTEP出错,请高手指教
(评阅+1)
(2/491)
wenxuan5788
2008-12-19
2008-12-21 13:09:36
by
wenxuan5788
[
MS
]
[求助]界面能从理论上讲能否为负值?
(评阅+1)
(2/192)
干冰388
2008-12-20
2008-12-21 10:17:27
by
干冰388
[
MS
]
dolm3 遇到问题 ,求助高手
(评阅-2)
(1/301)
chenyang17
2008-12-20
2008-12-21 09:02:30
by
acridine
[
MS
]
【求助】Error in job preparation是什么错误?
(评阅+1)
(0/138)
allenjobsf853
2008-12-20
2008-12-20 20:47:11
by
allenjobsf853
[
MS
]
【求助】LiAl合金模型构建
(2/113)
wzyong123
2008-12-19
2008-12-20 15:54:37
by
css8170
[
MS
]
【求助】MS 的discover 分析 concentrantion profile
(0/105)
yyx19840628
2008-12-20
2008-12-20 12:13:38
by
yyx19840628
[
Abinit
]
【求助】用abinit怎么优化晶体体积
(8/677)
xiaoxue7002
2008-12-16
2008-12-20 11:32:53
by
xiaoxue7002
[
MS
]
【求助】过渡态搜索的问题
(评阅+1)
(0/141)
58153365
2008-12-20
2008-12-20 10:09:04
by
58153365
【咨询】这个力收敛标准会不会太小
(5/314)
ghzhong
2008-10-15
2008-12-20 02:23:59
by
wuxiaoxia2008
[
MS
]
castep中如何结合Born有效电荷计算介电常数?
(评阅-1)
(0/305)
fengtulip
2008-12-19
2008-12-19 21:36:14
by
fengtulip
【求助】我画得3D图,怎么不能用鼠标来修改了
(5/168)
wwj_0905
2008-12-19
2008-12-19 20:11:29
by
wuchenwf
[
MS
]
ms4.3怎么运行错误
(评阅-2)
(3/245)
yulifto8402
2008-12-19
2008-12-19 17:41:32
by
dlyao
[
MS
]
MS 4.2的license
(3/374)
awpsr
2008-12-19
2008-12-19 17:03:54
by
zhengjinde
[
Siesta&
]
做atk所需要的一些基础知识
(2/346)
wzslg
2008-12-06
2008-12-19 16:24:45
by
wzslg
[
Siesta&
]
Atomistix ToolKit (ATK) 2008.10与Virtual NanoLab (VNL) 2008.10下载
(4/1336)
Rosen-luo
2008-12-18
2008-12-19 15:05:02
by
moueor
[
Vasp&Me
]
【求助】怎样看VASP优化完的晶体结构
(3/657)
lxjuan
2008-09-20
2008-12-19 15:03:14
by
zcyi
[
Vasp&Me
]
【求助】关于FFT-mesh
(评阅+1)
(0/104)
channe
2008-12-19
2008-12-19 14:12:39
by
channe
【求助】ms4.3在linux下的安装中文说明
(2/236)
yulifto8402
2008-12-19
2008-12-19 13:38:16
by
zhengjinde
[
Siesta&
]
【求助】用vnl计算的问题
(评阅+1)
(6/366)
yuan888
2008-12-17
2008-12-19 13:10:55
by
Rosen-luo
[
MS
]
谁有ms4.3在linux下的安装详细过程啊?“
(5/338)
yulifto8402
2008-12-18
2008-12-19 10:32:18
by
dlyao
[
MS
]
【求助】MS4.2不能计算
(7/267)
awpsr
2008-12-18
2008-12-18 21:07:02
by
awpsr
[
MS
]
[求助]MS 的Modify选项中的 charges 有什么作用
(1/118)
sss3012
2008-12-18
2008-12-18 17:11:15
by
aylayl08
[
MS
]
【求助】怎么用Dmol3算出来的不同构象的能量一样呢?
(0/97)
wwj_0905
2008-12-18
2008-12-18 15:55:15
by
wwj_0905
[
Vasp&Me
]
[求助]怎么通过vasp建立La的赝势文件
3
(3/393)
qktscdx
2008-07-31
2008-12-18 15:53:44
by
liluyan
[
其他
]
给大家推荐一个群
(1/84)
dongdong3881
2008-12-18
2008-12-18 15:29:56
by
wuli8
[
MS
]
[讨论]MS的中Modify菜单中有Charge editing
(0/60)
sss3012
2008-12-18
2008-12-18 15:09:07
by
sss3012
[
Vasp&Me
]
[求助]如何看每个元素所带的电量
(4/327)
mermaid1128
2008-10-26
2008-12-18 14:18:59
by
liluyan
[
MS
]
【求助】有效离子半径
(0/85)
jieweiwei
2008-12-18
2008-12-18 14:16:35
by
jieweiwei
[
Vasp&Me
]
请教计算带电空位形成能时VBM怎么确定的
(1/232)
chemofish
2008-11-13
2008-12-18 14:15:44
by
liluyan
[
MS
]
【求助】能量优化
(0/95)
wwj_0905
2008-12-18
2008-12-18 13:48:58
by
wwj_0905
[
MS
]
[求助]MS4.3 网关问题
(2/145)
fah
2008-12-18
2008-12-18 12:10:42
by
fah
[
MS
]
【求助】Discover计算出错
(8/611)
raul0716
2008-12-03
2008-12-18 12:03:23
by
wangyuan00
【求助】关于DFT
(9/612)
wwj_0905
2008-12-16
2008-12-18 11:24:30
by
wwj_0905
[
MS
]
求助:如何能得到原子坐标?
(0/119)
xutianjun
2008-12-18
2008-12-18 10:02:19
by
xutianjun
[
MS
]
【讨论】想谢谢gasd,回答我很多问题,能开贴给他金币吗?
(0/51)
yyx19840628
2008-12-18
2008-12-18 09:23:03
by
yyx19840628
[
Vasp&Me
]
[求助]求lev00的中文说明,主要用来做电荷密度
(1/312)
cos60
2008-12-17
2008-12-18 09:15:01
by
ApolloYang
[
MS
]
ms4.3里面的gaussian问题
(评阅-2)
(0/135)
zyj8119
2008-12-18
2008-12-18 09:02:07
by
zyj8119
[
MS
]
【求助】初学MS,请教一个建模问题
(4/604)
channe
2008-10-07
2008-12-18 01:24:41
by
min7781
[
MS
]
求助: graphene建模
(3/538)
小小金书签
2008-10-28
2008-12-18 01:14:45
by
min7781
[
MS
]
[求助]castep 优化碳纳米管
(3/411)
gaussian08
2008-11-24
2008-12-18 01:04:42
by
min7781
[
MS
]
【求助】请大家帮忙计算反应式的反应焓
(2/124)
xuelian172
2008-11-24
2008-12-18 00:07:21
by
chenyang17
[
MS
]
求助 Materials-studio 软件能否模拟金属配位键
(1/181)
fpm_597
2008-12-17
2008-12-17 22:55:18
by
qasd
【求助】VASP收敛问题
(
1
2
)
10
(12/904)
heshun
2008-11-24
2008-12-17 22:27:07
by
stractor
[
QE(Pwsc
]
[求助]pwscf编译
(
1
2
)
(14/1261)
huangyc
2008-11-21
2008-12-17 21:44:38
by
superest
[
QE(Pwsc
]
./configure安装程序时,报错
(评阅-2)
(4/646)
ruixue
2008-12-10
2008-12-17 21:41:46
by
superest
[
MS
]
表面问题
(1/133)
zhouzhongjunzzj
2008-12-17
2008-12-17 21:00:59
by
yyx19840628
[
MS
]
【求助】关于建模
(0/62)
wyez
2008-12-17
2008-12-17 19:40:41
by
wyez
[
MS
]
[求助]MS 3.2 for linux 的安装问题
(
1
2
)
(11/564)
bshliu
2008-07-09
2008-12-17 19:20:26
by
shuyu2004
[
Vasp&Me
]
vasp计算态密度问题
(5/849)
yinwei_li
2008-11-17
2008-12-17 19:18:22
by
搞理论的
[
MS
]
【求助】MS在Linux中的安装问题
(2/137)
hdh912
2008-12-17
2008-12-17 18:14:17
by
hdh912
[
MS
]
【求助】如何提高MS中建模出来的图的分辨率
(评阅+1)
(6/578)
goaliman
2008-12-14
2008-12-17 16:54:58
by
搞理论的
[
其他
]
求助 NiSi的晶体结构
(1/90)
yqxuefei
2008-12-13
2008-12-17 15:44:16
by
yqxuefei
[
MS
]
【求助】MS4.2的完整License文件
(3/314)
大匠文莽
2008-12-17
2008-12-17 11:04:30
by
q68
【求助】如何实现 wien2k lapw0并行计算
(3/391)
allawwp
2008-05-26
2008-12-17 10:20:57
by
yichenliu
[
Vasp&Me
]
[求助]vasp算出的电子云密度反映出共建键的强弱或者什么?
5
(0/157)
leongxf
2008-12-17
2008-12-17 09:27:10
by
leongxf
[
MS
]
【求助】《固体能带理论》谢希德陆栋
(
1
2
)
(13/848)
亚楠
2008-11-03
2008-12-17 09:10:08
by
jackapple
[
MS
]
【求助】 Discover 氢键
(7/557)
tttl060
2008-11-19
2008-12-16 19:23:50
by
yitahutu
[
MS
]
【讨论】计算失败 成功
(0/63)
jieweiwei
2008-12-16
2008-12-16 19:00:21
by
jieweiwei
[
MS
]
【求助】怎么看这个掺杂能级
(0/160)
程伟686
2008-12-16
2008-12-16 16:55:38
by
程伟686
[
MS
]
【求助】关于提交作业
(0/69)
wwj_0905
2008-12-16
2008-12-16 15:16:49
by
wwj_0905
[
Siesta&
]
重新传vnl和atk说明书
(1/673)
wzslg
2008-12-16
2008-12-16 15:13:53
by
wzslg
[
MS
]
花大量的金币请教解决远程控制MS计算的问题
(评阅-2)
(6/636)
caqhero
2008-12-13
2008-12-16 14:02:33
by
zhengjinde
9051
68/91
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