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[
热点
]
心脉受损
偏振片
2025-12-17
刚刚
[
MS
]
[已完结]
MS计算中的Energy Gap问题?
(3/550)
lzn_t
2012-09-26
2013-01-18 05:07:47
by
lzn_t
[
Vasp&Me
]
[已完结]
计算光学性质的方法有几种呢?各有什么优缺点呢?
(1/1549)
Gina88
2013-01-17
2013-01-18 00:36:07
by
Gina88
[
MS
]
[已完结]
请教 光电流是用什么仪器测的?
(4/1322)
leachmond
2012-12-04
2013-01-17 21:04:04
by
yangking91
[
Vasp&Me
]
[已完结]
HSE方法做弛豫时参数如何设置
(
1
2
)
(16/3077)
sleep桉
2011-05-05
2013-01-17 18:12:08
by
wuli8
[
MS
]
[已完结]
ZnO价带顶能量
(0/443)
qlpsw12
2013-01-17
2013-01-17 14:12:36
by
qlpsw12
[
MS
]
[已完结]
关于几何优化前的参数设定问题》。
(0/674)
npuouwen
2013-01-17
2013-01-17 13:11:29
by
npuouwen
[
热点前沿
]
[已完结]
关于选取晶报大小
(2/496)
xiaoboy185
2013-01-16
2013-01-17 11:00:55
by
zxynepu
[
Vasp&Me
]
[已完结]
vasp计算静态出现错误!
(5/1975)
haowenping
2011-07-18
2013-01-17 07:50:38
by
future_wl
[
MS
]
[已完结]
关于finite displacement声子谱计算的问题
(8/1600)
youqin5912
2012-12-29
2013-01-17 04:21:57
by
xiaoaosky
[
热点前沿
]
[已完结]
MS discover 能做溶液结晶吗?
(0/334)
xiongye1000
2013-01-16
2013-01-16 23:29:25
by
xiongye1000
[
热点前沿
]
[已完结]
得失电子之后的自旋多重度的变化
(2/418)
gwlsw890118
2013-01-16
2013-01-16 21:30:11
by
lmzhao
[
MS
]
[已完结]
Cr最多能成几个键
(4/771)
猪要加油
2013-01-13
2013-01-16 17:30:41
by
ptf6
[
Vasp&Me
]
[已完结]
ALGO怎么设置,看手册看糊涂了。
(0/5631)
Gina88
2013-01-16
2013-01-16 17:00:20
by
Gina88
[
Vasp&Me
]
[已完结]
为什么我得不出手册上计算NaF极化的值呢?Berry phase
(1/460)
yayanoba
2013-01-16
2013-01-16 16:44:52
by
yayanoba
[
MS
]
[已完结]
請問一下斷電重跑的.check上限
(0/141)
okmmjygv
2013-01-16
2013-01-16 15:50:14
by
okmmjygv
[
Wien2k&
]
[已完结]
【求助】关于用WIEN2K计算optic的
(2/477)
stxjlyh
2013-01-11
2013-01-16 14:43:25
by
rogger
[
MS
]
[已完结]
计算中收敛曲线不能及时更新
(0/270)
anewtry
2013-01-16
2013-01-16 14:36:56
by
anewtry
[
MS
]
[已完结]
凹凸棒石 ICSD
(2/292)
crope
2012-12-14
2013-01-16 14:25:19
by
crope
[
Vasp&Me
]
[已完结]
vasp做MD
(3/1243)
songp295
2013-01-15
2013-01-16 12:59:06
by
songp295
[
MS
]
[已完结]
双轴应力下ZnO建模
(2/371)
qlpsw12
2013-01-06
2013-01-16 12:15:19
by
qlpsw12
[
Vasp&Me
]
[已完结]
算极化率,结果出现问题,请各位虫友赐教
(
1
2
)
(10/1081)
anewtry
2013-01-13
2013-01-16 11:52:56
by
digghost
[
Vasp&Me
]
[已完结]
dos计算时被kill掉,为什么,求高手指点
(0/428)
西山一
2013-01-16
2013-01-16 11:32:12
by
西山一
[
MS
]
[已完结]
用castep中的dynamics计算势垒
(0/1185)
lx_wonder
2013-01-16
2013-01-16 11:25:27
by
lx_wonder
[
MS
]
[已完结]
castep计算的能量上下限设置
(3/581)
hustzym
2013-01-15
2013-01-16 10:52:19
by
hustzym
[
其他
]
[已完结]
如何画一个填充了的立方体
(2/392)
韩D小希
2013-01-14
2013-01-16 10:50:13
by
韩D小希
[
MS
]
[已完结]
求教KNbO3各种相的ISCD卡片信息
(2/386)
xiao2dao
2013-01-15
2013-01-16 10:36:05
by
xw2008
[
MS
]
[已完结]
用Dmol3优化结构后出现断键,怎么解决?
(2/975)
学员AcTPy7
2013-01-11
2013-01-16 08:38:23
by
qq364085265
[
热点前沿
]
[已完结]
编译问题,急求~~~
(4/1139)
love5264
2013-01-08
2013-01-15 22:42:43
by
lda8810809
[
其他
]
[已完结]
Vesta 颜色标度 上下限 怎么确定?
(0/295)
jidibinghumc
2013-01-15
2013-01-15 21:36:03
by
jidibinghumc
[
Vasp&Me
]
[已完结]
volume of cell 包含真空部分体积吗?
(9/1028)
Gina88
2013-01-08
2013-01-15 20:11:10
by
chenyuchen
[
MS
]
[已完结]
在服务器控制台archive,手动存档后,输出文件是存在哪里的啊
(
1
2
3
)
(23/1983)
量化新手
2011-11-17
2013-01-15 17:48:55
by
量化新手
[
MS
]
[已完结]
有关力场选择的问题
(0/952)
wuchengyou6097
2013-01-15
2013-01-15 17:34:28
by
wuchengyou6097
[
MS
]
[已完结]
版权问题求有经验的虫子指点
(0/488)
fangyongxinxi
2013-01-15
2013-01-15 17:20:00
by
fangyongxinxi
[
MS
]
[已完结]
软件自动退出问题
(1/410)
yida
2013-01-15
2013-01-15 16:46:26
by
yida
[
Abinit
]
[已完结]
怎么找材料的详细数据(能带,结构参数等等)
(
1
2
)
(11/3162)
sheng-1991
2012-09-04
2013-01-15 12:17:43
by
zhuchunlli
[
Siesta&
]
[已完结]
Siesta 3.1编译遇到问题 有没有同遭遇的 求问高人解决方法
(1/391)
hitchar514
2012-12-04
2013-01-15 00:45:42
by
love5264
[
MS
]
[已完结]
这种图是怎么画出来的呢?
(9/1093)
hustren008
2013-01-14
2013-01-14 22:54:31
by
phq323
[
MS
]
[已完结]
求六方CdS的坐标位置
(0/354)
liutaifeng
2013-01-14
2013-01-14 16:49:10
by
liutaifeng
[
Vasp&Me
]
[已完结]
光学计算OUTCAR后面那些数据是什么意思啊?
(0/1639)
Gina88
2013-01-14
2013-01-14 11:23:35
by
Gina88
[
MS
]
[已完结]
关于晶体掺杂能量
(9/1367)
anlen0615
2012-11-02
2013-01-14 07:29:04
by
pengliusss
[
Vasp&Me
]
[已完结]
掺杂价态
(0/588)
x夏日的约定
2013-01-13
2013-01-13 21:43:45
by
x夏日的约定
[
热点前沿
]
[已完结]
关于K点测试
(1/810)
xiaoboy185
2013-01-11
2013-01-13 21:31:03
by
souledge
[
MS
]
[已完结]
请问LSW方法用什么模块计算,有人做过BaFe12O19的模拟么
(0/143)
hyjhust
2013-01-13
2013-01-13 19:56:52
by
hyjhust
[
QE(Pwsc
]
[已完结]
vc-relax 优化rutile TiO2结构问题
(1/759)
leoaqu
2013-01-12
2013-01-13 15:03:17
by
souledge
[
Vasp&Me
]
[已完结]
BiFeO3价带顶如何确定
(
1
2
)
(12/1775)
future_wl
2013-01-10
2013-01-13 14:22:25
by
dhc198611
[
其他
]
[已完结]
请问用第一性原理可以计算金属的液态氧化吗
(0/209)
IamJessie
2013-01-13
2013-01-13 11:34:18
by
IamJessie
[
Vasp&Me
]
[已完结]
三个轴不等的情况怎么优化晶格常熟
(2/401)
lyylyy1
2013-01-12
2013-01-13 00:34:08
by
gavinliu7390
[
MS
]
[已完结]
无序晶体计算
(1/646)
hwceng0816
2013-01-11
2013-01-12 22:53:45
by
周啸
[
MS
]
[已完结]
掺杂位是等效问题!!!
(1/355)
pengliusss
2013-01-12
2013-01-12 19:24:05
by
pro_junjie
[
Siesta&
]
[已完结]
部分原子的极化电荷密度
(0/347)
lu_wei07
2013-01-12
2013-01-12 18:40:45
by
lu_wei07
[
Vasp&Me
]
[已完结]
LDOS
(4/2048)
liuqun
2012-06-27
2013-01-12 17:13:29
by
yuraining
[
其他
]
[已完结]
急求,跪谢。帮忙下载一篇文献,感激不尽。
(1/273)
cll小呆
2013-01-12
2013-01-12 13:33:46
by
xmq135828
[
MS
]
[已完结]
lammps任务断电后怎样才能接着以前的断点继续计算
(1/1918)
tianshuping
2013-01-10
2013-01-12 10:39:09
by
anlen0615
[
Siesta&
]
[已完结]
初学siesta,求学习资料
(6/856)
云端星雨
2012-12-26
2013-01-12 08:58:23
by
love5264
[
Vasp&Me
]
[已完结]
vasp 5.2 install 有errors和makefile 和 ifort mpich 运行情况
(1/819)
Janus2024
2013-01-12
2013-01-12 02:45:08
by
wzbhit
[
Vasp&Me
]
[已完结]
请帮忙看看POSCAR中两个距离太近的原子的坐标怎么改下好
(0/636)
anewtry
2013-01-11
2013-01-11 20:55:42
by
anewtry
[
MS
]
[已完结]
大家帮分析下审稿专家想要我干什么
(3/722)
416726641
2013-01-08
2013-01-11 18:35:20
by
hejinghui
[
MS
]
[已完结]
怎么显示分波(杂化产生的新的态)的态密度,怎么通过态密度计算磁性?
(6/1188)
焦俊荣
2013-01-06
2013-01-11 17:39:20
by
焦俊荣
[
热点前沿
]
[已完结]
高斯计算中间物相的能量
(0/275)
秦巴农夫
2013-01-11
2013-01-11 16:09:12
by
秦巴农夫
[
其他
]
[已完结]
求文献
(0/153)
gynan2008
2013-01-11
2013-01-11 16:07:42
by
gynan2008
[
MS
]
[已完结]
简单建模问题,急求
(8/1246)
yolanda1234
2013-01-09
2013-01-11 14:35:14
by
mika
[
MS
]
[已完结]
ZnO castep仿真求助
(0/209)
qlpsw12
2013-01-11
2013-01-11 12:23:50
by
qlpsw12
[
MS
]
[已完结]
模拟聚合物之间的相互作用
(3/433)
风吹雪下
2012-12-01
2013-01-11 11:50:24
by
jakielgh
[
Vasp&Me
]
[已完结]
GdN能带结构的计算讨论
(0/202)
gougou531
2013-01-11
2013-01-11 10:25:49
by
gougou531
[
Vasp&Me
]
[已完结]
bader分析文献求助
(2/393)
wuli8
2013-01-10
2013-01-11 10:03:11
by
wuli8
[
Vasp&Me
]
[已完结]
态密度计算的是价电子的分布还是全部电子的分布,是否和赝势选取有关
(3/986)
gougou531
2013-01-08
2013-01-11 09:53:27
by
gougou531
[
Vasp&Me
]
[已完结]
算能带的feimi能级怎么取
(6/574)
lyylyy1
2013-01-08
2013-01-11 09:44:56
by
digghost
[
MS
]
[已完结]
[关贴]
过聚合物的高温热解动力学模拟求助!!!
(0/352)
学员AcTPy7
2013-01-11
2013-01-11 09:30:20
by
qq364085265
[
Vasp&Me
]
[已完结]
有关LDA+U参数设置问题!
(
1
2
)
(14/3320)
haowenping
2012-03-12
2013-01-11 07:46:46
by
paopaotu326
[
MS
]
[已完结]
求教分子吸附的模拟计算
(4/812)
zhaoling1985
2011-12-17
2013-01-11 07:46:14
by
qiuyuan-w
[
MS
]
[已完结]
请问MS软件是否免费的?文章里面可用吗?
(6/1070)
keke1987
2013-01-09
2013-01-10 23:06:40
by
keke1987
[
MS
]
[已完结]
gateway
(0/257)
shmilylxc
2013-01-10
2013-01-10 21:31:40
by
shmilylxc
[
其他
]
[已完结]
thermocalc盗版软件能够正常使用么
(0/3592)
chongzi135
2013-01-10
2013-01-10 15:47:05
by
renweili
[
热点前沿
]
[已完结]
求助关于二维类石墨烯结构的vasp结构优化,能带计算
(0/1858)
terry52112
2013-01-10
2013-01-10 14:32:06
by
terry52112
[
热点前沿
]
[已完结]
这种态密度图说明什么?
(1/1775)
zhongyunxia
2013-01-10
2013-01-10 13:52:28
by
mika
[
MS
]
[已完结]
CASTEP判断磁性!
(2/634)
stonezhoujun
2013-01-10
2013-01-10 11:37:28
by
hwceng0816
[
Vasp&Me
]
[已完结]
p4v可视化问题
(6/922)
贝芷苡
2013-01-06
2013-01-10 09:49:54
by
yinhanqing
[
Vasp&Me
]
[已完结]
vasp赝势库中镧系元素有后缀“_3”或是“_2”的是什么意思?
(6/2413)
mazuju028
2012-03-20
2013-01-10 07:01:51
by
呜呜哗啦
[
MS
]
[已完结]
DMOL优化所建的构型
(2/304)
lihuiran818
2012-08-28
2013-01-10 06:08:01
by
lihuiran818
[
Vasp&Me
]
[已完结]
ENCUT测试
(
1
2
)
(12/2317)
xiaoluoj
2013-01-09
2013-01-09 22:04:28
by
emilyoyang
[
Siesta&
]
[已完结]
tbtrans计算出错,提示nc小于等于零
(3/673)
maomao-666
2012-12-15
2013-01-09 20:44:15
by
love5264
[
Siesta&
]
[已完结]
siesta中.HSX文件halmilton矩阵排列
(0/279)
kuku6666
2013-01-09
2013-01-09 18:12:52
by
kuku6666
[
MS
]
[已完结]
能量势垒怎么看?
(1/1086)
flymice
2011-11-28
2013-01-09 17:30:06
by
liuupc919
[
Vasp&Me
]
[已完结]
用VASP+phonopy算声子时如何设hexagonal下的超胞
(1/414)
刘仕晨
2012-12-26
2013-01-09 11:27:41
by
刘仕晨
[
MS
]
[已完结]
各位相问下,搭建非晶胞为什么分子会溢出来呢
(0/207)
wuchengyou6097
2013-01-09
2013-01-09 10:42:46
by
wuchengyou6097
[
MS
]
[已完结]
只迭代4次,优化便成功结束。其实能量未收敛
(5/931)
sygdgtlx
2013-01-06
2013-01-08 22:48:28
by
月下冰魂
[
MS
]
[已完结]
d band center如何求出
(1/514)
炼金师的傀儡
2013-01-07
2013-01-08 19:34:13
by
炼金师的傀儡
[
热点前沿
]
[已完结]
一个审稿意见,求指点
(评阅-6)
(3/726)
yy08
2013-01-08
2013-01-08 17:32:32
by
yy08
[
Wien2k&
]
[已完结]
wien2k并行错误
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迷路的游侠
2013-01-08
2013-01-08 15:41:12
by
迷路的游侠
[
Vasp&Me
]
[已完结]
BaTiO3 GGA/LDA+U U=?
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tuhaidan
2013-01-07
2013-01-08 11:45:18
by
VASP2010
[
MS
]
[已完结]
建模问题:基团对原子层的影响
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ywb2254
2013-01-07
2013-01-08 11:22:07
by
qq364085265
[
热点前沿
]
[已完结]
Graphene Phonon Mean Free Path Calculation 石墨烯声子自由程计算
(1/595)
sdzjc1988
2013-01-08
2013-01-08 09:03:52
by
xwangan
[
MS
]
[已完结]
CASTEP中计算得到的Raman谱中的每个峰的原子振动情况怎么用图形表示出来?
(0/517)
UNSW-AO
2013-01-08
2013-01-08 08:50:15
by
UNSW-AO
[
Abinit
]
[已完结]
abinit中in 文件里面rprim如何确定?
(4/839)
gynan2008
2012-12-25
2013-01-07 23:58:45
by
天气就是风景
[
其他
]
[已完结]
求文献 Journal of Materials Research 2009,24,2880-2885
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sjzxbe
2013-01-07
2013-01-07 19:50:19
by
空心立方体
[
其他
]
[已完结]
固体理论课后23题答案!!求助!!!
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xingyanfei
2013-01-07
2013-01-07 17:35:45
by
xingyanfei
[
Vasp&Me
]
[已完结]
几种原子组成的体系怎么选择赝势
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707462558
2013-01-07
2013-01-07 16:36:52
by
707462558
[
其他
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[已完结]
有关石墨烯场效应管(GFET)迁移率和氧化层电容的问题
(0/784)
haohaowind
2013-01-07
2013-01-07 16:04:33
by
haohaowind
22598
173/226
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