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[
热点
]
还有课题组有博士名额吗
冻雨天
2026-06-10
刚刚
[
MS
]
【求助】声子
(评阅+1)
(5/671)
Huanhuan5360
2010-09-07
2010-09-07 13:05:07
by
ylli
[
Vasp&Me
]
【求助】vasp 对于一维问题 能带和态密度能否同时算得
(评阅+1)
(0/317)
小木虫于
2010-09-07
2010-09-07 12:27:46
by
小木虫于
[
MS
]
【求助】紧急求助!!Castep 可以计算材料的磁性吗
(评阅+1)
(7/932)
wholelife
2010-09-06
2010-09-07 10:46:07
by
hn19870519
[
MS
]
【求助】j急!请指教MS倒POSCAR
(评阅+1)
(3/439)
bnliu
2010-09-06
2010-09-07 09:23:56
by
bnliu
[
MS
]
【求助】castep计算能带出错?
(3/1193)
zhangdelin0000
2010-08-31
2010-09-07 09:00:55
by
zhangdelin0000
[
Vasp&Me
]
【求助】lev00
(2/643)
yueya9113
2010-09-05
2010-09-07 08:43:42
by
cenwanglai
[
MS
]
【求助】大侠救我
(3/407)
dyh753357
2010-08-29
2010-09-07 07:22:44
by
安德
[
MS
]
【求助】客户机和服务器用交叉网线连接可不可以?
(6/1144)
shuo2008
2010-09-05
2010-09-07 03:57:54
by
frank178
[
Vasp&Me
]
【求助】如何用VASP计算计入应变的缺陷形成能
(2/505)
bnliu
2010-09-01
2010-09-07 01:14:17
by
icyspace
[
MS
]
【求助】MS安装怪事,哪位大侠能解决?
(3/545)
sunzhiguo
2010-09-05
2010-09-07 01:07:41
by
o2615
[
其他
]
[关贴]
【求助完毕】500金币寻全套crystal09 程序,金币可以再加
(5/659)
ice_rain
2010-09-06
2010-09-07 00:02:21
by
smilemfc
[
热点前沿
]
【求助】何为第一性原理??
(6/1735)
baitao-1987
2010-07-12
2010-09-06 23:17:46
by
宇宙思者
[
QE(Pwsc
]
【求助】请问谁有PWS比较详细的教程?
(5/1313)
改王之王
2010-09-04
2010-09-06 22:24:00
by
改王之王
[
QE(Pwsc
]
【求助】基本概念的划分
(3/1951)
byin
2010-05-06
2010-09-06 22:18:07
by
马丽娟
[
MS
]
[关贴]
【求助】PDOS在哪啊
(5/586)
guolianshun
2010-09-03
2010-09-06 21:46:02
by
zhangjunkai
[
热点前沿
]
【求助】推荐几个能算输运性质的开源软件
(2/984)
灯塔守望者
2010-07-18
2010-09-06 21:45:17
by
ifmc1234
[
Vasp&Me
]
【求助】vasp计算出现的问题
(0/435)
真实的自我
2010-09-05
2010-09-06 21:27:44
by
真实的自我
[
MS
]
【求助】COSMO溶剂效应问题
(0/678)
gyn1988
2010-09-05
2010-09-06 21:27:40
by
gyn1988
[
MS
]
[关贴]
【求助】谁能提供一些基团吸附晶体或者晶体便面的建模方法
(0/239)
guolianshun
2010-09-06
2010-09-06 21:27:30
by
guolianshun
[
Vasp&Me
]
【求助】碳纳米管 硅橡胶 分散度 软件
(0/501)
gzhao1980
2010-09-06
2010-09-06 21:27:26
by
gzhao1980
[
QE(Pwsc
]
【求助】虚频和软模是一回事么?
(
1
2
)
(19/3767)
identation
2010-04-25
2010-09-06 21:03:13
by
ylli
[
QE(Pwsc
]
【求助】pwscf中关于bandgap的问题
(3/871)
zhuguomin1
2010-08-02
2010-09-06 20:44:45
by
ylli
[
MS
]
【求助】dos图的纵坐标 值怎么这么大--
(2/1603)
qqfly2003
2010-09-06
2010-09-06 20:28:25
by
ylli
[
Vasp&Me
]
【求助】vasp计算光学性质
(2/907)
子虚乌有5388
2010-09-06
2010-09-06 19:19:39
by
子虚乌有5388
[
MS
]
【求助】在MS-castep中ZrO2如何掺杂Y2O3
(2/404)
tmj523397981
2010-09-05
2010-09-06 19:00:22
by
tmj523397981
[
Siesta&
]
【求助】一些关于atk中态密度分析的文献
(1/439)
kaypu
2010-09-06
2010-09-06 18:55:24
by
panjinbo87
[
Vasp&Me
]
【求助】关于+U方法的总能上的疑问
(
1
2
)
(10/1778)
hadone
2009-09-29
2010-09-06 16:45:32
by
zhang668
[
MS
]
【已经解决】一用优化软件对系统进行清理MS就不能用了
(
1
2
)
(12/2311)
purewater2715
2010-09-02
2010-09-06 16:29:58
by
wzftxw2009
[
MS
]
【求助】用第一性原理计算热膨胀系数
(1/1334)
piao2004ha
2010-09-06
2010-09-06 16:29:29
by
piao2004ha
[
MS
]
【求助】CASTEP计算中的一些问题
(5/1050)
zhanglx8632
2010-09-06
2010-09-06 16:27:59
by
ym23
[
Siesta&
]
【求助】atk中态密度图
(2/413)
kaypu
2010-08-23
2010-09-06 11:00:24
by
gaottgougou
[
MS
]
【求助】MS运算中需要虚拟网络吗
(
1
2
)
(16/949)
guolianshun
2010-09-03
2010-09-05 23:57:29
by
sidney_lz
[
MS
]
【求助】PHONON
(1/320)
Huanhuan5360
2010-09-05
2010-09-05 21:54:17
by
ylli
[
MS
]
【求助】linux下查看优化的分子结构的问题
(6/1693)
zhanping
2010-09-04
2010-09-05 21:13:39
by
shuo2008
[
MS
]
【求助】请教怎样比较两种不同构型的能量哪种稳定??
(4/675)
zhuguomin1
2010-09-04
2010-09-05 20:54:15
by
王玉鹏
[
MS
]
【求助】有序问题
(0/215)
江海寄余生
2010-09-05
2010-09-05 19:24:54
by
江海寄余生
[
Vasp&Me
]
【求助】计算能带及态密度
(2/785)
小木虫于
2010-09-05
2010-09-05 18:44:34
by
sunyang1988
[
QE(Pwsc
]
【求助】zasr='simple'是什么意思
(1/2844)
zhl2967
2010-09-05
2010-09-05 18:13:28
by
ylli
[
Vasp&Me
]
【求助】ISMEAR=0时,能量取哪个?
(1/1298)
zhang668
2010-09-04
2010-09-05 15:53:23
by
cenwanglai
[
MS
]
【求助】Materials-studio4.4安装问题
(1/818)
ww1987
2010-09-04
2010-09-05 15:50:06
by
cenwanglai
[
其他
]
【其他】关于范德瓦尔斯力的理解
(2/532)
zjwangphy
2010-09-05
2010-09-05 15:35:25
by
dxcharlary
[
Vasp&Me
]
【求助】态密度中6d贡献部分丢失
(3/675)
txf8378
2010-09-03
2010-09-05 11:11:22
by
fzx2008
[
Vasp&Me
]
【求助】vasp出错,potcar
(1/762)
zhaohuxian
2010-09-03
2010-09-05 08:39:04
by
gfei2008
[
MS
]
【求助】金属钒(3d34s2)及合金的计算需要考虑电子自旋及+U么?
(3/1321)
鲤鱼飞
2010-09-04
2010-09-04 22:08:34
by
鲤鱼飞
[
热点前沿
]
【求助】富勒烯的文章什么杂志比较有权威
(6/769)
jianying8996
2010-09-03
2010-09-04 21:55:48
by
steven_li
[
MS
]
【求助】离子键和共价键的区分
(
1
2
)
(17/4790)
enola
2010-07-19
2010-09-04 16:20:06
by
meimeidyh
[
Abinit
]
【求助】不会看.ddb文件和.gkk文件
(0/389)
学员UKbkc5
2010-09-04
2010-09-04 14:55:57
by
xijinyang
[
MS
]
【求助】从icsd到CASTEP出现的问题
(1/223)
gzhao1980
2010-09-04
2010-09-04 14:35:07
by
fzx2008
[
MS
]
【求助】CASTEP中结构优化和能带计算可否同时进行?
(
1
2
)
(10/3387)
freshman8185
2010-07-07
2010-09-04 13:51:33
by
鲤鱼飞
[
其他
]
【求助】请教反应能垒的问题
(2/704)
lgxyz
2010-09-03
2010-09-04 13:46:13
by
夕阳西下
[
Vasp&Me
]
【求助】vasp的电子自洽和原子核优化过程是否可以分开?
(4/1233)
yidiandian2703
2010-09-03
2010-09-04 10:21:16
by
yidiandian2703
[
MS
]
[关贴]
【求助】MS建模的录像
(3/515)
guolianshun
2010-09-02
2010-09-04 10:07:08
by
s20080718
[
MS
]
【求助】第一性原理发论文,投什么期刊?
(8/2856)
shengfengyu
2010-07-23
2010-09-04 10:04:03
by
s20080718
[
MS
]
【求助】平面波赝势方法PWP
(5/1154)
guolianshun
2010-09-03
2010-09-03 22:25:22
by
fzx2008
[
其他
]
【求助】请问计算石墨烯的有关性质一般采用什么软件
(3/661)
hanson260
2010-09-03
2010-09-03 20:26:00
by
夕阳西下
[
Vasp&Me
]
【求助】真空层厚度的如何设置
(金币≥10)
(7/89)
真实的自我
2010-09-02
2010-09-03 19:43:30
by
ice_rain
[
MS
]
【已解决】MS服务器与客户端连接问题
(8/1580)
sikasun
2010-08-30
2010-09-03 19:39:40
by
shuo2008
[
Siesta&
]
【求助】vnl中NanoLanguage Scripter里的Geometric Constraints怎么设置
(1/334)
chyuhang
2010-09-02
2010-09-03 17:55:44
by
fan159
[
QE(Pwsc
]
【求助】pwscf的若干问题
(4/1360)
enola
2010-08-31
2010-09-03 16:17:13
by
enola
[
QE(Pwsc
]
【求助】计算态密度步骤是否有问题 ??
(3/1081)
zhuguomin1
2010-08-24
2010-09-03 16:08:56
by
zhuguomin1
[
MS
]
【求助】请教能量最小化问题 模拟退火与几何优化
(8/2286)
mophyworld
2009-11-24
2010-09-03 15:28:34
by
xk6891
[
MS
]
[关贴]
【求助】DMO13运算失败
(4/805)
guolianshun
2010-09-02
2010-09-03 13:40:09
by
Eversong
[
MS
]
【求助】有限长和无限长纳米管的能隙
(1/307)
lovepei
2010-09-03
2010-09-03 11:08:24
by
lovepei
[
MS
]
【求助】关于固溶度计算
(0/401)
liujie1003
2010-09-03
2010-09-03 10:13:48
by
liujie1003
[
Vasp&Me
]
【求助】单机多核用vasp NEB做过渡态 可行吗?
(5/951)
lgxyz
2010-09-02
2010-09-03 10:06:19
by
hgye
[
MS
]
【求助】MS5.0 运行问题
(6/1385)
dyk325
2010-09-01
2010-09-03 09:56:25
by
purewater2715
[
QE(Pwsc
]
【求助】为什么我计算又出错?????
(3/521)
zhuguomin1
2010-08-29
2010-09-02 22:56:34
by
lono75
[
MS
]
【求助已解决!】用客户端服务器运行程序!提交任务后没有计算!
(9/1967)
shuo2008
2010-09-02
2010-09-02 20:10:45
by
shuo2008
[
其他
]
[关贴]
【诚聘版主】第一性原理版欢迎您的加入
(评阅+10)
(金币≥500)
(3/112)
wuli8
2010-08-31
2010-09-02 19:05:36
by
163.com
[
MS
]
[关贴]
【原创】对模型加约束
(评阅-2)
(1/278)
jphuang_63
2010-09-02
2010-09-02 18:22:04
by
lzl8181
[
Abinit
]
【求助】abinit 赝势
(7/1586)
zxling
2010-08-19
2010-09-02 17:30:42
by
fzx2008
[
MS
]
【求助】请教能带读取基本知识
(5/1305)
眉峰
2010-09-01
2010-09-02 13:38:30
by
yangkunspace
[
Abinit
]
【求助】ABINIT如何减少内存使用量?
(4/811)
mazuju028
2010-08-26
2010-09-02 11:39:57
by
lzl8181
[
MS
]
[关贴]
【求助】CASTEP和DMO13区别
(1/363)
guolianshun
2010-09-02
2010-09-02 11:29:17
by
lzl8181
[
MS
]
【求助】MS能否调出个物质然后得到他的XRD图
(4/1030)
freshman8185
2010-07-23
2010-09-02 11:28:43
by
bishy
[
Vasp&Me
]
【其他】VASP5.2的杂化泛函计算速度如何?
(3/1719)
jglee646
2010-09-02
2010-09-02 11:23:47
by
stractor
[
Vasp&Me
]
【求助】VCA和SCPA的区别
(1/2833)
marsdoing
2010-01-06
2010-09-02 11:21:53
by
25351048
[
QE(Pwsc
]
【求助】我的能带很特殊吗??
(7/752)
zhuguomin1
2010-08-31
2010-09-02 11:16:06
by
wenjlu
[
Vasp&Me
]
【求助】如何画分波态密度和能带图 急
(金币≥20)
(9/237)
zengchangan
2010-08-21
2010-09-02 11:10:02
by
aray1577
[
MS
]
【求助】CASTEP中的3D模型没有反应
(2/523)
wwgaochao
2010-07-16
2010-09-02 11:01:26
by
guolianshun
[
MS
]
【求助】初学者该从哪里入门???
(
1
2
)
(12/2535)
wwgaochao
2010-06-22
2010-09-02 11:01:12
by
wuli8
[
MS
]
【求助】创腾公司网站上MS各模块文献分类
(7/891)
wanglianli136
2010-07-16
2010-09-02 10:46:35
by
guolianshun
[
MS
]
【求助】非金属掺杂也需要设置自旋?
(
1
2
)
(14/2081)
carlaty
2010-07-17
2010-09-02 10:40:09
by
guolianshun
[
MS
]
【求助】优化结构时应怎么调整参数避免失败?
(3/770)
gongjijun
2010-07-22
2010-09-02 10:37:36
by
guolianshun
[
MS
]
【分享】Materials Studio 5.0 - Update 1
(
1
2
)
(评阅+5)
(13/2870)
cmwangdft
2010-05-07
2010-09-02 10:13:58
by
guolianshun
[
MS
]
【求助】求教CO 吸附氧化锌 100面 都有那些吸附位
(1/329)
amywj
2010-07-21
2010-09-02 10:10:12
by
guolianshun
[
MS
]
【求助】在MS中进行结构优化时提示Failure-completed
(3/2654)
jiangxljnp
2010-07-23
2010-09-02 09:50:06
by
guolianshun
[
热点前沿
]
【求助】建模:如何把两种材料拼起来
(3/889)
vaspstudy
2010-08-28
2010-09-02 09:28:00
by
guolianshun
[
Vasp&Me
]
【求助】p4vasp作图的能量零点是如何定义的
(9/1512)
vaspstudy
2010-08-27
2010-09-02 07:33:43
by
ylli
[
MS
]
【求助】ms5.0怎么安装队列
(4/555)
pashanhu105
2010-08-30
2010-09-01 20:10:22
by
bluewhale
[
MS
]
[关贴]
【求助】MS帮助有汉语版的吗
(2/284)
guolianshun
2010-09-01
2010-09-01 20:10:09
by
dxcharlary
[
Vasp&Me
]
【求助】关于vasp能量
(5/1207)
lgxyz
2010-08-30
2010-09-01 19:56:48
by
dxcharlary
[
MS
]
【求助】reaction energy和 adsorption energy的区别
(6/1277)
liujie5631
2010-08-30
2010-09-01 19:16:26
by
luoqiquan
[
Vasp&Me
]
【求助】vasp计算原子间成键情况
(3/1459)
quby7503
2010-09-01
2010-09-01 18:58:41
by
study163
[
MS
]
【求助】关于布局分析
(4/723)
05111034
2010-08-28
2010-09-01 17:09:14
by
有目标有希望
[
MS
]
【求助】请教带隙问题
(4/529)
meimeinn
2010-08-19
2010-09-01 16:23:09
by
guolianshun
[
MS
]
【求助】CO氧化反应的反应热怎么算
(1/696)
liujie5631
2010-09-01
2010-09-01 15:40:09
by
fanchen021
[
MS
]
【求助】MS中哪种格式的文件能导入到tecplot软件中?
(0/161)
freshman8185
2010-09-01
2010-09-01 15:39:24
by
freshman8185
[
MS
]
【求助】优化结构前后,怎么看原子移动多少
(
1
2
)
(11/1700)
jdy19862002
2010-08-24
2010-09-01 15:29:19
by
guolianshun
[
MS
]
【求助】Mo2C的建模
(2/309)
liuhongge1
2010-09-01
2010-09-01 14:40:27
by
longchang
12807
112/129
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