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[
热点
]
售SCI-T0P文章,我:8O.5.5.1.O.54,科目齐全,可+急
ELBZ6WwEaRj6
2026-11-06
刚刚
[
MS
]
[已完结]
MS4.3 能计算EELS吗?
(4/978)
clszxh02
2012-04-26
2012-04-27 07:44:24
by
chrinide
[
Wien2k&
]
[已完结]
考虑自旋轨道耦合(SOI)后,能带线是一条变两条?
(1/634)
DDO8809
2012-04-26
2012-04-26 20:46:14
by
corbin
[
Siesta&
]
[已完结]
ATK11.2.3版LSDA计算透射谱
(0/386)
tanggp
2012-04-26
2012-04-26 18:28:20
by
tanggp
[
Vasp&Me
]
[已完结]
vasp计算La系元素用PBE+U还是LDA+U比较好,U值怎么选取
(0/3434)
星愿9997
2012-04-26
2012-04-26 16:42:27
by
星愿9997
[
MS
]
[已完结]
使用MS中DMol优化过程中
(0/545)
yushengbest
2012-04-26
2012-04-26 15:06:16
by
yushengbest
[
MS
]
[已完结]
quasi-harmonic Debye model 准谐德拜模型的适用范围
(0/1514)
iamkz
2012-04-26
2012-04-26 15:00:34
by
iamkz
[
MS
]
[已完结]
表面建模问题
(1/431)
landian666
2012-04-24
2012-04-26 13:16:02
by
landian666
[
Wien2k&
]
[已完结]
启动SCF出错
(0/300)
liyanliyan
2012-04-26
2012-04-26 12:47:11
by
liyanliyan
[
Siesta&
]
[已完结]
Basis Set中Ba的赝势怎么不能用?
(1/493)
leadre
2012-04-15
2012-04-26 10:00:45
by
byin
[
其他
]
[已完结]
固体的体积模量B0和BT有什么关系
(2/695)
zhuzhudgyg
2012-04-25
2012-04-26 09:17:30
by
zhuzhudgyg
[
MS
]
[已完结]
MS计算NaCl(100)面无法收敛
(0/756)
WJ-MS
2012-04-26
2012-04-26 08:58:08
by
WJ-MS
[
MS
]
[已完结]
有关CASTEP Band Structure问题
(8/3656)
YUN杰2070
2011-10-24
2012-04-26 07:53:34
by
wenzhiqin
[
Vasp&Me
]
[已完结]
如何用VASP计算H2在Ni3Fe(111)的催化裂解及吸附??
(0/354)
lijuanshu
2012-04-25
2012-04-25 21:27:19
by
lijuanshu
[
Vasp&Me
]
[已完结]
请教超晶格计算slab模型 原子位置如何计算?
(3/1216)
qinform
2012-04-23
2012-04-25 20:19:31
by
tangtiecheng
[
MS
]
[已完结]
MS5.5在redhat5.4上安装后,running后无报错提示,但无结果返回
(2/592)
gjknife
2012-04-23
2012-04-25 18:52:57
by
gjknife
[
其他
]
[已完结]
[关贴]
Savitzky-Golay平滑滤波器消除心电基线漂移原理
(0/534)
GlintRock
2012-04-25
2012-04-25 17:22:37
by
GlintRock
[
MS
]
[已完结]
用castep 计算晶体表面电荷
(0/311)
lei234
2012-04-25
2012-04-25 15:29:00
by
lei234
[
MS
]
[已完结]
castep弹性常数的计算原理是什么啊
(2/492)
kinter616
2012-04-24
2012-04-25 13:57:30
by
kinter616
[
Vasp&Me
]
[已完结]
请问什么是NEB?
(2/4145)
ApolloYang
2012-04-23
2012-04-25 13:29:54
by
xiongb123456
[
Vasp&Me
]
[已完结]
VASP计算neb出错,帮忙看看
(6/2947)
jixiao0526
2012-04-23
2012-04-25 13:28:39
by
xiongb123456
[
Vasp&Me
]
[已完结]
如何查看已编译好的VASP的版本
(1/4868)
skyzhangy
2012-04-25
2012-04-25 13:22:35
by
huangll99
[
Abinit
]
[已完结]
ABINIT 中能用VDW泛函吗?
(3/680)
njuxyh
2012-04-23
2012-04-25 12:41:06
by
njuxyh
[
MS
]
[已完结]
我的MS用着用着就提示openclipboard失败,接着一点确定就关了,怎么回事?
(1/455)
rainxin2008
2012-04-16
2012-04-25 11:25:14
by
rainxin2008
[
Vasp&Me
]
[已完结]
计算电荷密度,fortran stop
(0/236)
lchchl
2012-04-25
2012-04-25 11:05:55
by
lchchl
[
MS
]
[已完结]
如何让MS中途计算暂停
(
1
2
)
(14/7272)
tequila2008
2012-03-20
2012-04-25 08:37:32
by
qzhost
[
Vasp&Me
]
[已完结]
请假:vasp如何优化单层原子的体系呢?本人新手,希望能说的明白点!
(4/1628)
yangprc
2011-05-16
2012-04-25 07:49:09
by
dingfengbo
[
热点前沿
]
[已完结]
缺陷形成能
(7/1745)
哥是传说
2012-04-10
2012-04-24 20:06:53
by
xiaoluoj
[
MS
]
[已完结]
想计算一下,红外振动时的力常数
(0/312)
guzhiqing
2012-04-24
2012-04-24 17:33:02
by
guzhiqing
[
Vasp&Me
]
[已完结]
split_dos 运行中的问题
(2/460)
lxf8101
2012-04-24
2012-04-24 17:26:23
by
lxf8101
[
Vasp&Me
]
[已完结]
求远程协助,集群安装并行版VASP
(3/1327)
shjzhang7076
2012-04-14
2012-04-24 16:46:23
by
shjzhang7076
[
Vasp&Me
]
[已完结]
Gotoblas2 安装失败
(3/1756)
bill686433
2012-04-24
2012-04-24 15:23:53
by
emilyoyang
[
MS
]
[已完结]
关于优化的两个问题
(3/994)
kinter616
2012-04-22
2012-04-24 12:49:45
by
shmilylxc
[
其他
]
[已完结]
请问各位大虫环境工程一般用哪些应用软件用得较多
(0/388)
卡卡阳阳兽
2012-04-24
2012-04-24 12:38:20
by
卡卡阳阳兽
[
其他
]
[已完结]
跑第一性原理分子动力学用配多大的计算硬件?
(2/1282)
cenwanglai
2012-04-24
2012-04-24 12:23:56
by
goldenfisher
[
MS
]
[已完结]
弹性常数计算时出错
(1/386)
嗨,大家好
2012-04-24
2012-04-24 08:58:10
by
06022043
[
MS
]
[已完结]
MS 各个模块的功能
(3/859)
lei234
2012-04-23
2012-04-24 08:47:18
by
lei234
[
Vasp&Me
]
[已完结]
寻高手指教,这个图是用什么软件,怎么画出来的
(1/795)
xiaoluoj
2012-04-23
2012-04-24 08:06:38
by
hedaors
[
Siesta&
]
[已完结]
ATK计算V-I如何设计计算循环?
(1/639)
木愚
2012-04-23
2012-04-24 07:56:50
by
vv_china
[
其他
]
[已完结]
DFT计算 电容
(7/2973)
hzkvictory
2011-11-14
2012-04-24 07:14:54
by
future_wl
[
MS
]
[已完结]
关于BiVO4怎么设置001面的弛豫问题
(2/498)
xy8711488
2012-04-22
2012-04-23 19:31:04
by
fzx2008
[
Wien2k&
]
[已完结]
能带图,一条能带曲线同时穿越了价带和导带,咋回事哦?
(9/3888)
DDO8809
2011-11-05
2012-04-23 19:16:18
by
铁昂笑
[
MS
]
[已完结]
计算晶体表面催化活性
(1/381)
lei234
2012-04-18
2012-04-23 19:08:19
by
lei234
[
MS
]
[已完结]
合金相 MS模型
(0/709)
edward100400
2012-04-23
2012-04-23 18:33:23
by
edward100400
[
MS
]
[已完结]
差分电荷的切面
(0/541)
suyi20466975
2012-04-23
2012-04-23 18:06:36
by
suyi20466975
[
热点前沿
]
[已完结]
popen2 module is deprecated. Use the subprocess module import popen2
(1/568)
特提斯
2012-04-21
2012-04-23 15:47:56
by
特提斯
[
MS
]
[已完结]
k点的个数问题
(2/1447)
嗨,大家好
2012-04-23
2012-04-23 15:05:45
by
584931986
[
其他
]
[已完结]
声子计算中的问题
(1/370)
lhcl
2012-04-23
2012-04-23 12:18:07
by
lfhuang
[
Vasp&Me
]
[已完结]
vasp中怎样可视化原子轨道
(
1
2
3
)
(24/4713)
uuv2010
2012-04-16
2012-04-23 11:33:37
by
hakuna
[
Vasp&Me
]
[已完结]
openmpi安装问题
(
1
2
)
(17/4499)
shelay
2012-02-07
2012-04-23 11:15:42
by
dxf_dxf_dxf
[
Vasp&Me
]
[已完结]
求助 GaAs纳米线的掺杂
(0/328)
狗狗529
2012-04-05
2012-04-23 10:59:50
by
狗狗529
[
Siesta&
]
[已完结]
ATK总是运行出错
(3/1720)
扭扭糖
2012-04-20
2012-04-23 09:55:44
by
扭扭糖
[
Vasp&Me
]
[已完结]
VASP程序中怎样计算费米能级的
(0/3514)
panhaijun
2012-04-23
2012-04-23 09:47:12
by
panhaijun
[
MS
]
[已完结]
力的收敛问题
(0/277)
嗨,大家好
2012-04-23
2012-04-23 09:38:31
by
嗨,大家好
[
MS
]
[已完结]
CASTEP计算出错,是不是内存问题
(8/2882)
秦巴农夫
2012-04-20
2012-04-23 09:16:08
by
秦巴农夫
[
Vasp&Me
]
[已完结]
利用VASP计算材料的力学性质,用不用考虑 GGA+U 和 自旋 ???
(3/1860)
sinaplwg
2012-04-20
2012-04-23 09:04:36
by
sinaplwg
[
MS
]
[已完结]
关于弹性常数
(2/450)
janet2012222
2012-04-22
2012-04-23 08:47:30
by
janet2012222
[
Vasp&Me
]
[已完结]
vasp.5.2.12并行计算过程中cpu100%负荷,但是没有数据输出.
(0/357)
小木虫于
2012-04-22
2012-04-22 19:31:02
by
小木虫于
[
Vasp&Me
]
[已完结]
为什么我的形成能是线性的
(1/411)
dfy50
2012-04-22
2012-04-22 18:03:08
by
gaojunfeng83
[
热点前沿
]
[已完结]
低价阳离子取代掺杂金属氧化物,空穴是局域的还是离域的?
(1/1458)
cenwanglai
2012-02-14
2012-04-22 16:49:20
by
wydzyx2003
[
MS
]
[已完结]
MS晶体结构优化时出错,求解释
(5/1279)
qiqi1986
2011-05-12
2012-04-22 11:35:48
by
slywind
[
Vasp&Me
]
[已完结]
[关贴]
体心四方Cu(c/a=1.3)第一原理计算,求VASP输入文件!!!!
(评阅-1)
(1/494)
gaoxiang0415
2012-04-21
2012-04-22 10:18:35
by
06022043
[
Vasp&Me
]
[已完结]
采用PBS脚本第一次提交任务,算了2步就被kill了,有错误提示但不知道原因是什么?
(1/1123)
c03185
2012-04-22
2012-04-22 08:33:51
by
c03185
[
MS
]
[已完结]
discover模块中orientational correlation分析出错
(0/245)
张筱宇
2012-04-22
2012-04-22 08:00:08
by
张筱宇
[
Vasp&Me
]
[已完结]
VASP并行计算时,提示“超过CPU时限”而退出计算。请问如何解决?
(
1
2
)
(11/2840)
c03185
2012-04-19
2012-04-22 07:28:14
by
chenweiguang
[
MS
]
[已完结]
关于功函数
(1/1037)
jinzhulin000
2012-04-20
2012-04-21 23:51:51
by
jinzhulin000
[
Vasp&Me
]
[已完结]
OUTCAR中的 total charge 怎么来的啊?
(
1
2
)
(16/2895)
wujiandongde
2011-06-22
2012-04-21 18:12:20
by
wujiandongde
[
Siesta&
]
[已完结]
siesta中total energy怎样定义的?
(1/812)
dalongmao
2012-04-21
2012-04-21 16:57:39
by
zhangguangping
[
Vasp&Me
]
[已完结]
PBS脚本如何编译?
(5/2287)
c03185
2012-04-21
2012-04-21 16:45:39
by
贺仪
[
Vasp&Me
]
[已完结]
vasp计算能带出错,求助
(1/447)
liufeila
2012-04-21
2012-04-21 12:07:51
by
huangll99
[
Vasp&Me
]
[已完结]
掺杂计算
(2/833)
pevil
2012-04-20
2012-04-20 15:38:10
by
pevil
[
Vasp&Me
]
[已完结]
请问这个图是用什么软件画出来的?
(
1
2
)
(10/2994)
thelrgbird
2012-04-17
2012-04-20 15:12:53
by
thelrgbird
[
MS
]
[已完结]
石墨烯的构型是哪种?
(5/1625)
qi-cheng
2012-04-20
2012-04-20 14:34:07
by
qi-cheng
[
MS
]
[已完结]
表面结构优化好以后,原子的原子位移怎么确定?
(2/764)
飘在空中的雨
2011-11-01
2012-04-20 14:20:39
by
huangll99
[
MS
]
[已完结]
我用Dmol3进行几何优化时,MS计算energy到第50步时,就失败了!
(
1
2
)
(11/3513)
kingway007
2012-04-17
2012-04-20 13:15:22
by
爱惜花草
[
Vasp&Me
]
[已完结]
文献说计算值考虑Γ point
(4/2111)
xmr0125
2012-04-18
2012-04-20 12:42:07
by
fzx2008
[
MS
]
[已完结]
有了晶胞文件,如何弄出来一个分子文件呢?
(1/531)
pudding93
2012-04-20
2012-04-20 11:05:13
by
huangll99
[
MS
]
[已完结]
有谁使用ms5.0,想咨询一点问题,谢谢
(1/264)
量化新手
2012-04-20
2012-04-20 11:00:26
by
量化新手
[
Vasp&Me
]
[已完结]
VASP接FROPHO计算H2时声子谱有虚频怎么办
(
1
2
3
)
(20/3212)
liu108
2012-04-12
2012-04-20 10:17:18
by
liu108
[
MS
]
[已完结]
MS中Dmol搜索过渡态 是否必须保证只有一个虚频?
(1/973)
cshcgy
2012-04-17
2012-04-20 08:49:48
by
cshcgy
[
MS
]
[已完结]
如何在MS里面截取特定大小、特定角度的石墨层作为吸附表面,而后建立晶胞?
(2/1525)
zhl98
2012-04-17
2012-04-20 00:31:58
by
孙?�730
[
MS
]
[已完结]
MS软件
(0/2269)
zifeiyu1221
2012-04-19
2012-04-19 22:30:23
by
zifeiyu1221
[
MS
]
[已完结]
An ab initio study
(0/352)
429078972
2012-04-19
2012-04-19 22:00:59
by
429078972
[
Vasp&Me
]
[已完结]
急求vasp家教,网上授课,一天1小时,讲5天
(4/789)
shjzhang7076
2012-03-16
2012-04-19 21:24:19
by
贺仪
[
热点前沿
]
[已完结]
利用schwinger boson MFT寻找自旋液体
(2/418)
xiaoyukaka
2012-04-03
2012-04-19 20:18:24
by
xiaoyukaka
[
Wien2k&
]
[已完结]
这里面的fz(x2-y2)什么态啊,是怎么得来的
(5/804)
Hyjen
2012-04-12
2012-04-19 18:37:05
by
iamikaruk
[
Vasp&Me
]
[已完结]
求助:表面能slab模型,计算时K点设置
(1/1321)
fangyongxinxi
2012-04-19
2012-04-19 18:22:12
by
hakuna
[
Vasp&Me
]
[已完结]
bader 电荷布居
(3/1339)
dfy50
2012-04-17
2012-04-19 16:59:23
by
dfy50
[
热点前沿
]
[已完结]
在做电子差分密度图是出现问题
(5/1330)
zlxxfzm
2012-04-18
2012-04-19 16:05:00
by
dxcharlary
[
MS
]
[已完结]
MS磁性计算
(6/1131)
mengchouchou
2012-04-18
2012-04-19 15:59:34
by
mengchouchou
[
Vasp&Me
]
[已完结]
做出的能带图和文献相差很大,什么情况?
(6/1252)
wanglei200
2011-07-26
2012-04-19 15:46:07
by
狗狗529
[
Vasp&Me
]
[已完结]
静态计算和能带计算
(0/1872)
liufeila
2012-04-19
2012-04-19 15:23:28
by
liufeila
[
MS
]
[已完结]
构建O2—
(6/683)
WJ-MS
2012-04-17
2012-04-19 13:39:23
by
WJ-MS
[
MS
]
[已完结]
CASTEP并行计算DOS
(0/630)
阿黛拉
2012-04-19
2012-04-19 12:57:38
by
阿黛拉
[
Vasp&Me
]
[已完结]
用VASP算Mg的结合能比参考值大很多
(0/682)
l_ripple
2012-04-19
2012-04-19 10:46:18
by
l_ripple
[
热点前沿
]
[已完结]
求助:如何判断一个纳米结构的稳定性
(7/3053)
fangyongxinxi
2011-05-18
2012-04-19 10:11:44
by
dxcharlary
[
Vasp&Me
]
[已完结]
设置为A-AFM,但是基态为C-AFM,那么弛豫后,得到的结构是A-AFM?C-AFM?
(2/509)
tuhaidan
2012-04-16
2012-04-19 09:28:21
by
tuhaidan
[
MS
]
[已完结]
请教高对称点(high symmetry point)是如何定义的?有没有相关定义的文献引用呢?
(9/3222)
avast2009
2012-04-18
2012-04-19 09:14:26
by
valenhou001
[
Wien2k&
]
[已完结]
wien2k安装完后运行TiC示例为什么没有自动算出RMT值
(0/454)
895841685
2012-04-19
2012-04-19 08:59:43
by
895841685
[
MS
]
[已完结]
在线等待化合价与磁当量变化关系问题--审稿意见
(0/396)
luobenhua
2012-04-19
2012-04-19 08:14:04
by
luobenhua
[
MS
]
[已完结]
关于MS形貌计算模块的问题
(5/1160)
kanghuijun
2012-04-13
2012-04-19 07:44:51
by
kanghuijun
22612
196/227
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