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计算模拟区
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第一性原理
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MS
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同年申请2项不同项目,第1个项目里不写第2个项目的信息,可以吗
hitsdu
2026-02-09
刚刚
[
MS
]
[已完结]
弹性常数计算
(2/633)
嗨,大家好
2012-05-03
2012-09-23 11:58:01
by
alyssadong
[
MS
]
我想问问波失应该怎么理解?
(1/603)
一片儿陶客
2012-09-22
2012-09-22 20:03:24
by
sunboyccc
[
MS
]
[已完结]
关于AlGaN/GaN的能带图分析
(2/2906)
yiyu1006
2012-05-11
2012-09-22 18:00:27
by
pengliusss
[
MS
]
[已完结]
超胞大小的变化会影响最终的禁带宽度结果吗
(0/712)
guardian_qq
2012-09-21
2012-09-21 23:47:52
by
guardian_qq
[
MS
]
[已完结]
求助,如何利用Dmol进行单分子计算,导入的分子结构是什么格式,
(0/279)
lilanyu
2012-09-21
2012-09-21 22:14:17
by
lilanyu
[
MS
]
【求助】NaCl结构(111)表面能计算建模求助
(7/2335)
michael1883
2010-11-18
2012-09-21 17:17:31
by
yourne
[
MS
]
【求助】模拟扩散轨迹
(
1
2
)
(10/1431)
学员NnOUhz
2010-09-01
2012-09-21 11:29:09
by
huangshuang1
[
MS
]
【求助】纳米管建模
(7/1639)
sdjgdu
2010-10-09
2012-09-21 06:33:35
by
707462558
[
MS
]
[已完结]
求教!关于DMol和CASTEP计算晶体和含表面的平板模型的区别
(评阅-3)
(1/643)
月只蓝
2012-09-14
2012-09-20 21:19:01
by
yourne
[
MS
]
[已完结]
MS5.5计算金属掺杂ZnO后不能分析各元素的态密度
(1/624)
菁菁亮
2012-09-19
2012-09-20 20:16:07
by
wenzhiqin
[
MS
]
【求助】两个切面的γ角不同怎么调整组合成界面
(
1
2
)
(11/1872)
8240668
2010-06-19
2012-09-20 19:57:55
by
gcworm
[
MS
]
第一性原理从本质上解释力学的本源—讨论(1)
(2/775)
zjj760120
2012-04-11
2012-09-20 18:14:17
by
tonglijia
[
MS
]
[已完结]
MS6.0 for Win抢先共享,本人亲测,绝对可用(115网盘下载)
(7/2496)
c5xiaoyi
2012-04-28
2012-09-20 17:36:37
by
搁浅蛟
[
MS
]
[已完结]
怎么用第一性原理计算肖特基势垒
(0/949)
晓阳轻轻
2012-09-19
2012-09-20 17:07:41
by
晓阳轻轻
[
MS
]
[已完结]
CASTEP氧空位带电荷问题如何设置
(2/1779)
P201102016
2012-09-20
2012-09-20 16:45:15
by
sunyang1988
[
MS
]
[已完结]
Gateway的疑惑
(4/859)
fengyu9519
2012-09-18
2012-09-20 16:12:24
by
lvyan0309
[
MS
]
[已完结]
我用Dmol3算能量,根据公式计算出的表面能,有正有负,负值是不稳定面么?
(6/2859)
coffey7835
2012-04-30
2012-09-20 15:47:28
by
aprilaj
[
MS
]
做第一性原理计算的虫友你们毕业都去了哪里?
(
1
2
3
)
(28/2489)
hwceng0816
2012-07-12
2012-09-20 13:04:32
by
anlen0615
[
MS
]
MS创建晶胞
(2/640)
cheapskate
2012-09-20
2012-09-20 12:40:13
by
xd星期八
[
MS
]
[已完结]
求助,这是什么问题,搞不清楚了,好久没弄好,来求助高人了
(5/934)
wangjing8330
2011-12-16
2012-09-20 11:44:32
by
nwpuxu
[
MS
]
[已完结]
[关贴]
关于Gd元素的MS模拟几何优化的问题
(0/552)
qqabmqqabm
2012-09-20
2012-09-20 11:39:17
by
qqabmqqabm
[
MS
]
[已完结]
[关贴]
MS中gulp计算声子谱出错
(0/1031)
hy218hy218
2012-09-20
2012-09-20 10:52:55
by
hy218hy218
[
MS
]
[已完结]
求助Materials-studio软件
(3/424)
飘梦飞
2012-09-19
2012-09-20 10:01:27
by
飘梦飞
[
MS
]
[已完结]
焙烧后的水滑石--XRD图分析
(3/1655)
good---apple
2012-09-18
2012-09-20 09:59:23
by
yangyuqi
[
MS
]
[已完结]
请问投中国化学,彩图是多少钱?
(2/329)
lifeycc
2012-08-08
2012-09-19 22:02:51
by
lifeycc
[
MS
]
[已完结]
用实验验证扩散系数
(0/259)
huangshuang1
2012-09-19
2012-09-19 20:21:01
by
huangshuang1
[
MS
]
[已完结]
怎么用第一性原理计算的结果计算欧姆接触的肖特基势垒
(5/1929)
晓阳轻轻
2012-09-18
2012-09-19 08:49:53
by
晓阳轻轻
[
MS
]
模型的显示
(0/156)
shmilylxc
2012-09-18
2012-09-18 16:38:56
by
shmilylxc
[
MS
]
license
(2/407)
shmilylxc
2012-09-18
2012-09-18 14:51:45
by
shmilylxc
[
MS
]
【求助】分析HOMO LUMO
(
1
2
)
(10/2294)
wanfei
2010-05-31
2012-09-18 13:00:12
by
jianying8996
[
MS
]
[已完结]
ms采用网关提交任务
(0/382)
zhouxing1002
2012-09-18
2012-09-18 10:00:11
by
zhouxing1002
[
MS
]
[已完结]
求教:势场输出
(0/240)
tyabc
2012-09-18
2012-09-18 04:20:22
by
tyabc
[
MS
]
[已完结]
AC模拟盒中有水和聚合物,水用COMPASS力场,聚合物用PCFF力场,这样有问题么
(2/961)
huangshuang1
2012-09-13
2012-09-17 21:34:46
by
huangshuang1
[
MS
]
[已完结]
大家来帮忙看下这个态密度图
(4/1296)
jiaopeng8253
2012-03-14
2012-09-17 18:24:03
by
贺仪
[
MS
]
[已完结]
求助 怎么回复审稿意见
(0/374)
jiaopeng8253
2012-09-11
2012-09-17 18:23:52
by
jiaopeng8253
[
MS
]
[已完结]
γ-MnO2中Mn-O键平均键长
(0/439)
催化达人
2012-09-17
2012-09-17 17:20:07
by
催化达人
[
MS
]
[已完结]
MS布里渊区
(3/1654)
shmilylxc
2012-09-17
2012-09-17 16:56:56
by
huangll99
[
MS
]
[已完结]
求分享用materials-studio做热力学性质计算的例子
(1/1937)
kong我就是我
2012-09-15
2012-09-17 13:03:35
by
xjliu
[
MS
]
[已完结]
建模成功若将其转化为初晶胞后出现的原子数比例不对的现象
(9/977)
xy8711488
2012-09-11
2012-09-17 10:48:05
by
xy8711488
[
MS
]
[已完结]
请问怎么又CASTEP计算金属团簇模型
(1/628)
wzffighting
2012-09-15
2012-09-17 10:18:30
by
missu001
[
MS
]
[已完结]
求助 怎么回复审稿意见
(0/349)
jiaopeng8253
2012-09-17
2012-09-17 09:47:23
by
jiaopeng8253
[
MS
]
[已完结]
如何获得一系列小分子的拓扑参数,用于QSAR
(3/674)
Dream-weaver
2012-09-15
2012-09-17 09:45:52
by
Dream-weaver
[
MS
]
[已完结]
如何去掉由MS搭建晶胞中的一个原子
(
1
2
)
(12/4242)
chengliping
2011-11-03
2012-09-17 07:54:45
by
qqfd
[
MS
]
【求助】50金币求助建模
(10/1051)
snowhitsnow
2011-03-19
2012-09-16 16:12:11
by
luokang
[
MS
]
[已完结]
GIBBS程序可以做热力学计算吗?
(4/1021)
hwceng0816
2012-08-11
2012-09-16 13:35:21
by
kervinzhao
[
MS
]
[已完结]
各位大侠 求助 急啊
(0/295)
alyssadong
2012-09-16
2012-09-16 09:50:34
by
alyssadong
[
MS
]
[已完结]
十金币求Te单质的原子坐标
(2/278)
snowhitsnow
2012-09-14
2012-09-15 09:24:58
by
anlen0615
[
MS
]
[已完结]
求解discovery studio同源建模生成模型那步出错
(0/841)
ljy1986
2012-09-14
2012-09-14 23:35:26
by
ljy1986
[
MS
]
[已完结]
CASTEP建模设置问题
(2/449)
P201102016
2012-09-13
2012-09-14 10:48:57
by
P201102016
[
MS
]
[已完结]
castep运行后几天都无反应
(5/864)
liufeila
2012-09-11
2012-09-14 09:12:28
by
awmc2008
[
MS
]
[已完结]
引入额外氧空位使能级劈裂?
(0/304)
墨客
2012-09-13
2012-09-13 17:16:03
by
墨客
[
MS
]
[已完结]
求教用castep计算石墨烯和碳纳米管光学性质的参数设置
(0/620)
maomao-666
2012-09-13
2012-09-13 17:00:01
by
maomao-666
[
MS
]
[已完结]
审稿意见回复求助?
(5/784)
风萧萧栖
2012-09-12
2012-09-13 11:04:44
by
casjxm
[
MS
]
[已完结]
linux ms gateway 问题 ps :window下ms能建18888gateway
(7/1277)
w511476842
2011-10-28
2012-09-12 21:02:58
by
xx4751
[
MS
]
【求助】问问问问:团簇单独用dmol3计算,和放在晶格里面算有什么区别啊???
(7/1208)
fanny0007
2010-04-02
2012-09-12 20:40:00
by
wcj668899
[
MS
]
[已完结]
dmol算400个硅原子是不是太多了
(
1
2
)
(10/940)
Joannaouc
2012-09-11
2012-09-12 19:42:32
by
漂泊四方
[
MS
]
[已完结]
windows7系统64位,装了MS5.5里面的图标都一样,怎么办?急
(5/795)
wangth08
2012-09-10
2012-09-12 17:15:46
by
wuguohao111
[
MS
]
[已完结]
AC 形成氢键
(3/507)
huangshuang1
2012-09-12
2012-09-12 16:42:32
by
huangshuang1
[
MS
]
[已完结]
MS 结果求助 见图
(1/218)
cg陈
2012-09-12
2012-09-12 14:50:29
by
cg陈
[
MS
]
[已完结]
关于弹性常数例如C11,C12的初始准确描述的课本
(5/3341)
liuxiaomai
2012-09-07
2012-09-12 10:44:46
by
xiariyumi
[
MS
]
调节castep对于晶体结构总能的计算
(6/2049)
xcpu
2012-07-29
2012-09-11 16:58:31
by
xcpu
[
MS
]
[已完结]
[关贴]
Dmol 算出福井函数后,怎么画出这种等高线图啊???
(1/1289)
gkf高
2012-05-28
2012-09-11 14:22:55
by
gkf高
[
MS
]
【求助】如何在原子间加上化学键
(
1
2
)
(10/3771)
zhaojy008
2010-11-07
2012-09-11 11:26:04
by
huangshuang1
[
MS
]
[已完结]
MS求助 切面后如何建立单元胞
(6/1122)
cg陈
2012-09-10
2012-09-11 11:13:40
by
cg陈
[
MS
]
[已完结]
到底在计算还是没算?
(7/878)
wunianleng
2012-09-05
2012-09-11 09:49:51
by
wunianleng
[
MS
]
[已完结]
二氧化钛纳米管的构建
(0/405)
707462558
2012-09-11
2012-09-11 09:49:11
by
707462558
[
MS
]
[已完结]
如何找出LO TO劈裂
(1/1034)
future_wl
2012-06-29
2012-09-11 07:21:26
by
future_wl
[
MS
]
[已完结]
不能和QQ同时用
(5/705)
困龙
2012-08-29
2012-09-10 21:05:07
by
困龙
[
MS
]
[已完结]
DPD模拟帮助文件中的例子出错
(3/494)
chenzihan
2012-09-07
2012-09-10 19:23:58
by
nan1026feng
[
MS
]
[已完结]
如何计算铁磁能量和反铁磁能量
(1/1098)
mengchouchou
2012-09-10
2012-09-10 16:20:42
by
vasp001
[
MS
]
【求助】castep并行计算问题
(
1
2
)
(15/2606)
w2056275
2009-04-15
2012-09-10 05:17:34
by
514709618
[
MS
]
[已完结]
请教CASTEP中上/下自旋能带结构图分别对应alpha和beta的能带结构图?
(1/1520)
绿世奇球
2012-09-09
2012-09-10 00:12:59
by
souledge
[
MS
]
[已完结]
material studio 安装问题
(
1
2
)
(14/1110)
liutaifeng
2012-09-07
2012-09-09 21:06:36
by
绿世奇球
[
MS
]
[已完结]
ms中的一个问题
(
1
2
)
(13/1407)
liangjun44
2012-05-28
2012-09-09 20:09:35
by
liangjun44
[
MS
]
MS Castep结构优化后,+U计算性质收敛慢
(3/1819)
xcpu
2012-09-07
2012-09-09 16:14:27
by
lics19870210
[
MS
]
[已完结]
建模求助
(2/331)
fengshiquan
2012-09-08
2012-09-09 11:17:04
by
shulezhang
[
MS
]
[已完结]
弹性常数计算和文献相差很大
(
1
2
)
(12/1024)
hwceng0816
2012-07-21
2012-09-09 06:54:34
by
jmsdxyf
[
MS
]
[已完结]
MS菜鸟求助各位大侠
(4/714)
wyywyy8888
2012-04-02
2012-09-09 06:37:13
by
夏小莫
[
MS
]
[已完结]
关于CASTEP模板计算电脑配置问题
(4/1155)
444239852
2012-09-06
2012-09-08 23:43:25
by
Zpffpz
[
MS
]
[已完结]
Fermi level not found
(2/524)
liuxiaomai
2012-09-07
2012-09-08 21:20:20
by
mywtfmp3
[
MS
]
[已完结]
急求!!如何简化晶体结构!
(7/1529)
lyl0514
2012-09-05
2012-09-08 17:09:52
by
lyl0514
[
MS
]
[已完结]
ms建模问题
(
1
2
)
(12/822)
菲顶顶
2012-09-05
2012-09-07 19:46:45
by
菲顶顶
[
MS
]
[已完结]
求可用的MS 5.0的.lic
(5/1751)
marshors
2012-02-05
2012-09-07 13:01:20
by
就是小新
[
MS
]
我算出来的Au原子能量,似乎不太靠谱
(2/627)
chenxin1992
2012-09-06
2012-09-07 11:52:33
by
chenxin1992
[
MS
]
[已完结]
Dmol3 运行失败
(3/595)
huangshuang1
2012-08-27
2012-09-07 11:24:46
by
水晶蚂蚁
[
MS
]
[已完结]
不等价掺杂价态的确定
(0/740)
iamphfeng
2012-09-07
2012-09-07 11:12:24
by
iamphfeng
[
MS
]
[已完结]
哪位大侠帮一下小弟
(0/200)
夏小莫
2012-09-07
2012-09-07 10:31:41
by
夏小莫
[
MS
]
【求助】castep计算声子谱,为什么不能进行振动分析
(9/4054)
冰雨雾
2011-03-02
2012-09-07 09:22:26
by
mhslee
[
MS
]
[已完结]
castep 运行失败
(
1
2
)
(10/1068)
菲顶顶
2012-09-01
2012-09-06 21:21:59
by
liutaifeng
[
MS
]
[已完结]
关于态密度的单位。。。
(2/3849)
浩之轻扬
2012-09-06
2012-09-06 19:24:48
by
浩之轻扬
[
MS
]
[已完结]
热力学性质的计算
(1/896)
fengshiquan
2012-09-05
2012-09-06 16:33:41
by
fengshiquan
[
MS
]
[已完结]
AgGaS2的CC相加压下的能量计算
(3/407)
lyyzhangcong
2012-09-05
2012-09-05 23:42:33
by
shmilylxc
[
MS
]
[已完结]
finite temperature 怎么去理解?
(4/952)
浩之轻扬
2012-09-02
2012-09-05 21:29:22
by
goldenfisher
[
MS
]
[已完结]
CASTEP中的能带隙怎么看的?
(7/2455)
浩之轻扬
2012-09-01
2012-09-05 11:53:13
by
ted1277
[
MS
]
[已完结]
MS是否可以计算铁电性能
(1ST强帖+1)
(7/2032)
yss2790
2011-05-04
2012-09-05 06:08:46
by
gswylq
[
MS
]
[已完结]
从ms里导出的坐标还需要优化吗
(3/437)
707462558
2012-09-04
2012-09-04 23:04:40
by
飞行鸟
[
MS
]
[已完结]
已知InI空间群,晶格参数,原胞内原子坐标,如何建模?
(0/407)
jay743
2012-09-04
2012-09-04 16:57:33
by
jay743
[
MS
]
[已完结]
MS里怎么用原胞的坐标建结构
(6/2243)
wuhen997
2012-03-30
2012-09-04 16:32:46
by
jay743
15017
100/151
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