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热点
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萌生出自己或许不适合搞科研的想法,现在跑or等等看?
DonYankess
2026-01-16
刚刚
[
Vasp&Me
]
【求助】设置问题
(7/924)
fengshiquan
2010-10-06
2010-10-10 09:37:25
by
sunyang1988
[
Vasp&Me
]
【求助】VASP算态密度的问题
(1/379)
gzhao1980
2010-10-09
2010-10-09 22:41:47
by
xhsh
[
Siesta&
]
【其他】vnl和atk
(6/1019)
hedge
2010-04-01
2010-10-09 22:04:11
by
xuanzhang
[
热点前沿
]
【求助】请教TB-LMTO
(7/1666)
gsp99
2010-09-30
2010-10-09 21:10:30
by
beefly
[
MS
]
【求助】ms5.0安装到这一步该如何选择
(6/816)
flymice
2010-10-09
2010-10-09 20:59:36
by
flymice
[
MS
]
【求助】castep几何优化的准则问题
(8/2011)
byin
2010-10-09
2010-10-09 19:40:51
by
byin
[
其他
]
【求助】关于windows版的crystal06的使用问题
(3/517)
yacexi
2010-08-10
2010-10-09 17:31:36
by
ifmc1234
[
Vasp&Me
]
【求助】关于驰豫的收敛标准
(
1
2
)
(14/2207)
wanglei200
2010-10-06
2010-10-09 17:06:09
by
wanglei200
[
MS
]
【求助】这是我用MS画的图,请问怎么才能画的更好看一点呢?
(7/1381)
qnsyhanjiu
2010-10-09
2010-10-09 17:02:23
by
erylingjet
[
Siesta&
]
【求助】ATK怎么算voltage drop啊?
(4/539)
panjinbo87
2010-10-08
2010-10-09 17:01:16
by
qzhaosdu
[
MS
]
【求助】请用MS中CASTEP的前辈指导一下,谢谢
(
1
2
3
)
(20/2393)
suanzao9999
2010-09-26
2010-10-09 15:59:21
by
suanzao9999
[
MS
]
【求助】MS启动时出现以下错误,应该如何解决?
(
1
2
)
(14/3364)
cmtang8351
2010-07-29
2010-10-09 15:07:01
by
wwddhh
[
Vasp&Me
]
【求助】3核单机能用vasp算NEB吗?
(2/402)
vaspstudy
2010-10-08
2010-10-09 14:34:42
by
vaspstudy
[
MS
]
【求助】从那可以看到优化后的晶格参数?
(1/265)
stonezhoujun
2010-10-09
2010-10-09 14:02:26
by
04nylxb
[
其他
]
【求助】计算机刊物订阅
(3/643)
江山2010
2010-10-08
2010-10-09 13:47:55
by
zxzj05
[
QE(Pwsc
]
【求助】运行出错
(
1
2
)
(10/1382)
gleerat
2010-09-17
2010-10-09 11:48:52
by
goldenfisher
[
Vasp&Me
]
【求助】Molden与MS如何联用读取VASP结果?
(0/164)
ntrip
2010-10-09
2010-10-09 09:24:53
by
ntrip
[
MS
]
【求助】dmol 计算时use symmetry问题
(7/1857)
lishufei
2010-10-07
2010-10-09 08:08:12
by
wuliang0503
[
MS
]
【求助】金属掺杂金属氧化物的SCI
(2/238)
guolianshun
2010-10-07
2010-10-09 08:05:59
by
guolianshun
[
MS
]
【求助】请教 数据来源
(2/235)
zhangzhiweia
2010-10-08
2010-10-09 08:02:17
by
夕阳西下
[
Vasp&Me
]
【求助】关于ISMEAR和SIGMA
(6/1328)
lgxyz
2010-10-08
2010-10-08 22:42:22
by
sunyang1988
[
其他
]
【求助】晶体结构数据,大家都去什么地方找
(1/313)
cash_ms
2010-10-08
2010-10-08 21:46:44
by
fzx2008
[
MS
]
【求助】GGA+U与LDA+U的疑惑
(1/533)
limin2007
2010-10-08
2010-10-08 19:05:35
by
铁昂笑
[
其他
]
【求助】求助??5Si3晶格参数?
(6/449)
ckh1020
2010-09-16
2010-10-08 16:53:05
by
ckh1020
[
QE(Pwsc
]
【其他】赝势的转化
(7/860)
hlshi
2010-09-28
2010-10-08 16:17:02
by
goldenfisher
[
QE(Pwsc
]
【求助】Bad data for namelist object amass
(0/598)
gleerat
2010-10-08
2010-10-08 16:05:11
by
gleerat
[
其他
]
【求助】求助福斯特能量转移原理 FORSTER MECHANISM OF ENERGY TRANSFER
(0/2425)
cang_ying
2010-10-08
2010-10-08 15:40:31
by
cang_ying
[
MS
]
【求助】下面au是什么意思啊
(3/1109)
guolianshun
2010-10-08
2010-10-08 14:54:15
by
guolianshun
[
MS
]
【求助】DFT+U和 LDA+U什么关系啊
(2/400)
guolianshun
2010-10-08
2010-10-08 14:48:45
by
guolianshun
[
MS
]
【求助】关于离子吸附的研究
(0/335)
lightgjx
2010-10-08
2010-10-08 11:56:36
by
lightgjx
[
MS
]
【求助】小分子吸附,计算时候,吸附位选择经验
(1/430)
jdy19862002
2010-10-07
2010-10-08 10:25:05
by
slz0811
[
MS
]
【求助】怎么求N在最稳定单质形态下的能量
(5/921)
yuandi1979
2010-08-22
2010-10-08 10:23:52
by
guolianshun
[
MS
]
【求助】CASTEP计算的时候可以断开网络吗
(
1
2
)
(15/1806)
guolianshun
2010-09-30
2010-10-08 10:21:21
by
guolianshun
[
Vasp&Me
]
【求助】有做过过ITO的进来指导一下!!!
(0/222)
huangpengru
2010-10-08
2010-10-08 09:06:44
by
huangpengru
[
MS
]
【求助】关于check文件
(
1
2
)
(14/2221)
Gina88
2010-10-07
2010-10-08 08:53:10
by
wuli8
[
MS
]
【求助】机器配置
(
1
2
)
(11/532)
pingfan2010
2010-10-07
2010-10-08 08:31:51
by
lono75
[
其他
]
【求助】Formation energies和Cohesive energies的区别
(2/2313)
wuli8
2010-10-07
2010-10-08 01:55:59
by
夕阳西下
[
QE(Pwsc
]
【求助】怎么从能带图看态是否被占有
(9/1648)
enola
2010-10-01
2010-10-07 21:55:06
by
goldenfisher
[
MS
]
【求助】linux 下 ms5.0安装问题,请求指导?
(0/534)
frank_zhan
2010-10-07
2010-10-07 21:35:13
by
frank_zhan
[
Wien2k&
]
【求助】新手求助 错误wien2k自洽
(1/584)
宝5403
2010-10-07
2010-10-07 20:39:15
by
cash_ms
[
MS
]
【求助】从优化步骤-收敛图中,能否看出结构优化的好坏呢?
(2/669)
tranquilseaside
2010-10-07
2010-10-07 17:51:45
by
dlthl
[
MS
]
【求助】MS4.3最多支持多少核运算
(0/191)
michael1883
2010-10-07
2010-10-07 17:26:23
by
michael1883
[
MS
]
【求助】请教 这些数据有哪些用途?
(8/834)
zhangzhiweia
2010-10-07
2010-10-07 14:40:01
by
夕阳西下
[
MS
]
【求助】castep图形问题
(8/756)
convenient
2010-10-06
2010-10-07 13:35:04
by
563324898
[
其他
]
【求助】求助Cygwin环境下编译linux软件的指导手册
(2/381)
lzl8181
2010-10-06
2010-10-07 11:56:14
by
lzl8181
[
MS
]
【求助】MS对半导体表面分析
(2/426)
zhouhua0227
2010-10-05
2010-10-07 11:32:36
by
css8170
[
MS
]
【求助】Dmol3跑动力学的问题
(0/508)
学员NnOUhz
2010-10-07
2010-10-07 09:49:00
by
石油黑人
[
MS
]
【求助】能带结构图分析
(4/1300)
zhanglx8632
2010-10-05
2010-10-07 09:47:49
by
dlthl
[
MS
]
【求助】MS能态密度图的问题
(2/362)
文明8937
2010-10-06
2010-10-07 09:44:04
by
dlthl
[
MS
]
【求助】castep计算中 截断能的问题
(4/1994)
zhanglx8632
2010-10-06
2010-10-07 09:40:00
by
dlthl
[
MS
]
【求助】MS and ZnO
(2/443)
zhouhua0227
2010-10-06
2010-10-07 09:38:40
by
dlthl
[
MS
]
【分享】有关COT的一些性质
(0/530)
qnsyhanjiu
2010-10-07
2010-10-07 08:55:16
by
qnsyhanjiu
[
MS
]
【求助】请教 是这么杂化的么?
(4/680)
zhangzhiweia
2010-10-06
2010-10-06 23:03:48
by
hywang3
[
MS
]
【求助】MS有关文献
(1/333)
zhouhua0227
2010-10-06
2010-10-06 22:28:07
by
hnhslwj
[
Abinit
]
【求助】abinit计算k点收敛问题
(评阅+1)
(7/2697)
mazuju028
2010-08-20
2010-10-06 19:00:49
by
qiqi2926
[
Siesta&
]
【求助】关于周期性结构矩阵元构建细节【完结】
(评阅+3)
(3/1330)
zhangguangping
2010-10-04
2010-10-06 09:23:35
by
zhangguangping
[
MS
]
【求助】ms能算有机小分子吗?
(4/700)
huakai8710
2010-10-01
2010-10-06 09:17:23
by
huakai8710
[
Abinit
]
【求助】为什么abinit-6.2.3 自学教程有问题?lesson 3和lesson4都运行不了!郁闷!
(7/1046)
frank_zhan
2010-10-05
2010-10-05 23:09:04
by
frank_zhan
[
Vasp&Me
]
【求助】vasp作业提交脚本
(5/3206)
dingfengbo
2010-10-03
2010-10-05 21:14:53
by
锐利的碎片
[
MS
]
【求助】MS4.3win 版找不到计算的主机,而主机的gateway已经顺利启动,该怎么解决?急
(1/312)
huihuijing6303
2010-10-05
2010-10-05 20:33:33
by
huihuijing6303
[
Vasp&Me
]
【求助成功】VASP运行错误
(6/1513)
gleerat
2010-10-03
2010-10-05 20:05:59
by
bingmou
[
MS
]
【求助】Cu12Sn10 与Cu6Sn5的能量大小??
(2/405)
clszxh02
2010-10-05
2010-10-05 13:48:26
by
clszxh02
[
Vasp&Me
]
【求助】vasp的计算时间含义
(
1
2
)
(12/3941)
nkleof
2010-09-27
2010-10-05 13:35:14
by
calos818
[
MS
]
【原创】分享一下再XP64里面安装MATERIAL STUDIO的经验
(评阅+3)
(4/882)
zyj8119
2010-03-28
2010-10-05 10:35:23
by
houfeifan
[
Vasp&Me
]
【求助成功】如何设置参数
(6/566)
fengshiquan
2010-10-04
2010-10-05 09:54:50
by
fengshiquan
[
MS
]
【求助】Electron density
(2/949)
zhouhua0227
2010-10-03
2010-10-04 22:01:16
by
zxzj05
[
MS
]
【求助】写文章时Visualizer code与code Visualizer这两个哪个对?
(4/307)
Hector8275
2010-10-03
2010-10-04 21:15:17
by
Hector8275
[
Vasp&Me
]
【求助】vasp运行出错
(1/713)
VASP2010
2010-10-04
2010-10-04 18:15:13
by
valenhou001
[
MS
]
[关贴]
【分享】创腾科技公司9月28日培训
(+2)
(6/1451)
fzx2008
2010-10-02
2010-10-04 17:55:15
by
fanyongming
[
MS
]
【求助】购机配置(四核)
(6/530)
houfeifan
2010-10-04
2010-10-04 17:44:42
by
houfeifan
[
Wien2k&
]
【求助】一个关于旋轨耦合的问题
(2/515)
ylyan
2010-10-04
2010-10-04 17:32:49
by
ylyan
[
热点前沿
]
【其他】大家都相信自己算的结果吗?
(
1
2
3
4
)
(评阅+60)
(35/2834)
ym23
2010-09-30
2010-10-04 10:04:29
by
calos818
[
MS
]
[关贴]
【求助】非平整表面的势能计算
(0/359)
w2056275
2010-10-04
2010-10-04 09:38:56
by
w2056275
[
MS
]
【求助】请教:用MS构建表面吸附体系的坐标!吸附分子的坐标怎么调整??
(2/1872)
good-luck
2010-09-30
2010-10-04 09:29:38
by
aylayl08
[
Vasp&Me
]
【求助】贡献50金币,求vasp,在论坛上找到的,用纳米盘总是下不了
(
1
2
)
(16/1045)
Janboma
2010-09-26
2010-10-03 23:30:28
by
Janboma
[
Wien2k&
]
【求助】问个问题,gnuplot的wxt输出模式如何安装?
(1/751)
wusongz
2010-09-25
2010-10-03 22:46:55
by
bingmou
[
Vasp&Me
]
【求助】vi修改文件后vasp运行后还是原来没修改的结果。为什么?
(
1
2
)
(10/1462)
VASP2010
2010-09-20
2010-10-03 22:45:29
by
VASP2010
[
Abinit
]
【求助】abinit tutorial 运行错误
(3/708)
pashanhu105
2010-08-19
2010-10-03 21:57:41
by
frank_zhan
[
MS
]
[关贴]
【求助】MS 模拟CNTs的磁性
(3/273)
Yolanda7
2010-04-22
2010-10-03 21:01:44
by
Yolanda7
[
MS
]
【求助】在一个复杂体系中,怎么计算单个原子的态密度?
(1/1198)
stonezhoujun
2010-10-03
2010-10-03 19:25:08
by
yindeqiang
[
MS
]
【求助】fermi 能级
(3/898)
zhouhua0227
2010-10-02
2010-10-03 14:01:49
by
zhouhua0227
[
MS
]
【求助】MS里,元素颜色 (红,绿,蓝三个数值) 怎么查?
(
1
2
)
(11/1644)
3245186
2010-09-29
2010-10-03 10:51:44
by
jphuang_63
[
MS
]
【求助】去掉原子时,总是会伴随去掉其他位置原子?
(
1
2
)
(19/1893)
dudu7128
2010-09-26
2010-10-03 10:45:00
by
jphuang_63
[
MS
]
【求助】态密度
(
1
2
)
(14/2117)
guyudan
2010-09-27
2010-10-03 10:41:24
by
guyudan
[
MS
]
【求助】关于ms态密度作图问题,盼达人指教,谢谢!
(9/2036)
gongchangjie
2010-06-06
2010-10-03 09:44:54
by
ese
[
Abinit
]
【求助】请教安装abinit对计算机硬件配置的要求怎样?
(6/791)
frank_zhan
2010-10-01
2010-10-02 23:53:54
by
zhouhua0227
[
MS
]
【求助】关于声子谱
(3/694)
w76990480
2010-10-02
2010-10-02 23:53:29
by
lfhuang
[
MS
]
【求助】带隙变小问题
(2/785)
zhouhua0227
2010-10-02
2010-10-02 23:52:59
by
zxzj05
[
Siesta&
]
【求助】siesta的test里面的文件怎么运行
(1/571)
vaspstudy
2010-10-01
2010-10-02 17:32:06
by
zhangguangping
[
MS
]
【求助】请教大侠们:如何使计算更快?
(3/482)
jphuang_63
2010-10-01
2010-10-02 15:49:05
by
gongjijun
[
MS
]
【求助】掺杂的质量百分比如何进行计算?
(5/4001)
guolianshun
2010-09-11
2010-10-02 14:55:01
by
bmwbush
[
MS
]
【其他】求助:带隙变宽
(1/388)
wpeiwei
2010-10-02
2010-10-02 11:24:48
by
nkleof
[
Abinit
]
【求助】请教,Ecut收敛测试
(
1
2
)
(10/1138)
identation
2010-09-30
2010-10-01 16:28:40
by
fzx2008
[
MS
]
【求助】Dynamic分子动力学问题
(1/518)
siga5609
2010-09-09
2010-10-01 16:08:15
by
xdr
[
MS
]
【求助】MS最小化和动力学以后
(评阅+2)
(4/767)
zxm86
2010-09-07
2010-10-01 15:57:15
by
xdr
[
MS
]
【已解决】请问Discover动力学的restart怎么弄?
(1/342)
ter20
2010-09-14
2010-10-01 15:53:49
by
xdr
[
MS
]
【求助】区分能带
(1/263)
zhouhua0227
2010-09-30
2010-10-01 12:59:36
by
enola
[
MS
]
【原创】国庆感
(1/184)
zxc1230
2010-10-01
2010-10-01 12:59:15
by
enola
[
MS
]
【求助】电荷密度分布 怎么得到
(6/907)
zhanglx8632
2010-09-30
2010-10-01 11:49:42
by
dxcharlary
12797
107/128
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