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[
热点
]
280求调剂
Qq206./
2026-02-25
刚刚
[
版务
]
2015年01月值日报道贴
(评阅+5)
(8/788)
liliangfang
2014-12-30
2015-01-31 21:31:10
by
ljw4010
[
Vasp&Me
]
[已完结]
vasp安装vtstcode时要不要对之前编译好的vasp执行make clean
(1/1037)
dingniu2
2015-01-31
2015-01-31 20:03:19
by
未岸亡灵
[
Vasp&Me
]
[已完结]
画完能带图之后处理
(
1
2
)
(14/1657)
tsglss
2013-06-27
2015-01-31 18:32:38
by
tsglss
[
MS
]
[已完结]
请问,哪位高人帮我解释一下异质结和量子阱之间的区别呀?谢谢
(9/1336)
tsglss
2014-10-28
2015-01-31 18:31:59
by
tsglss
[
MS
]
[已完结]
安装时出现问题,急需解决!
(4/516)
s044154lyg
2015-01-29
2015-01-31 17:09:23
by
Ivy286
[
Vasp&Me
]
[已完结]
表面结构加vdw计算表面能
(
1
2
)
(11/1345)
菲顶顶
2015-01-26
2015-01-31 15:32:19
by
菲顶顶
[
Vasp&Me
]
[已完结]
vasp编译出错
(1/333)
如花和小宝
2015-01-30
2015-01-31 09:57:19
by
hybren
[
其他
]
【讨论】能垒(Ea)与温度(KT)的关系
(评阅+3)
(9/3789)
cenwanglai
2010-07-31
2015-01-31 06:44:06
by
对马拉二胡
[
MS
]
Castep 优化时,原子坐标位置的优化
(10/4240)
fansw1129
2012-12-22
2015-01-30 23:14:58
by
junhuisun
[
Vasp&Me
]
[已完结]
菜鸟求助:VASP能带计算问题
(8/1374)
bianyuan2680
2015-01-29
2015-01-30 17:22:21
by
bianyuan2680
[
Vasp&Me
]
[已完结]
GW近似的计算速度快么?最多计算多少个原子?
(7/3494)
发光的橘子
2011-06-23
2015-01-30 16:44:22
by
luzihen
[
Vasp&Me
]
[已完结]
vasp安装ifort: command line remark #10148: option '-lowercase' not supported
(1/3721)
dingniu2
2015-01-30
2015-01-30 14:52:50
by
KalaShayminS
[
Vasp&Me
]
[已完结]
0GPa, 0K时能垒为0.023eV/atom, 300K时会反应吗?
(4/970)
对马拉二胡
2015-01-29
2015-01-30 11:31:34
by
对马拉二胡
[
Vasp&Me
]
[已完结]
求助关于偶极修正的问题!
(1/861)
stephenew
2015-01-28
2015-01-30 11:26:46
by
stephenew
[
MS
]
[已完结]
大神帮忙,看我的模型对否,可以用么?
(5/658)
zhenglijun-8
2015-01-29
2015-01-30 10:22:36
by
zhenglijun-8
[
MS
]
[已完结]
急急急!求教materials studio 中castep模块计算能量问题!
(2/2184)
小蟒Andy
2015-01-29
2015-01-30 09:17:29
by
小蟒Andy
[
其他
]
[已完结]
如何能自动掌握自己研究方向的及时动态?
(1/1017)
果果果莹莹莹
2015-01-29
2015-01-29 20:10:44
by
aibude163
[
MS
]
[已完结]
请问掺杂形成能如何计算呢?
(1/2324)
gdwxky
2015-01-29
2015-01-29 11:18:04
by
未岸亡灵
[
MS
]
【求助】金属间化合物和有序固溶体的区别
(
1
2
)
(15/3757)
火柴天堂7909
2009-10-29
2015-01-29 07:26:46
by
fxh0402
[
Wien2k&
]
[已完结]
wien2k并行.machines文件怎么写?
(
1
2
)
(13/2902)
wswangs
2015-01-26
2015-01-28 21:28:33
by
ljw4010
[
其他
]
[已完结]
求助-计算几个化学键的BDE
(
1
2
)
(11/2906)
汶水长流
2015-01-27
2015-01-28 19:07:50
by
chiweijie
[
MS
]
[已完结]
用castep计算TiO2表面能和吸附能
(4/3979)
leachmond
2011-12-11
2015-01-28 18:28:54
by
我爱砖头
[
热点前沿
]
【求助】声子与相变
(1ST强帖+1)
(28/4368)
identation
2010-12-03
2015-01-28 16:16:04
by
奋力拼搏
[
MS
]
【求助】SiO2/SiC界面结构的搭建问题
(评阅+1)
(4/1274)
vinbert
2010-07-30
2015-01-28 12:16:35
by
风雨彩虹1602
[
Vasp&Me
]
[已完结]
求助:VASP计算广义层错能GSFE的方法问题是否有误?
(3/1793)
鲤鱼飞
2013-06-17
2015-01-28 12:16:03
by
shuoshuohome
[
热点前沿
]
半导体材料多缺陷问题的研究
(2/1174)
Dirac12345
2014-11-19
2015-01-28 11:57:18
by
tsglss
[
Vasp&Me
]
[已完结]
计算出极化强度矢量后,怎么判断它是沿哪个晶向?(如[111],[001])
(5/1770)
donggaomin
2011-06-18
2015-01-28 11:47:25
by
liutaifeng
[
其他
]
[已完结]
求关于Y单质在不同压力下的结构的文献或是结构数据
(0/226)
diandianer
2015-01-28
2015-01-28 11:04:34
by
diandianer
[
其他
]
[已完结]
VESTA无法画出正确的配位多面体
(1/2805)
cruiser0631
2015-01-27
2015-01-28 10:42:59
by
fzx2008
[
Vasp&Me
]
[已完结]
用PBS提交任务出错,请各位高手帮忙指点一下。谢谢大家~~
(0/1369)
hjl89
2015-01-28
2015-01-28 08:41:24
by
hjl89
[
MS
]
[已完结]
怎么用castep计算ZnO的光学属性,新手入行,有个稍具体的步骤最好
(0/320)
我爱砖头
2015-01-27
2015-01-27 21:14:20
by
我爱砖头
[
Vasp&Me
]
[已完结]
POTCAR文件的选取问题
(0/1197)
sunyj1409
2015-01-27
2015-01-27 20:07:09
by
sunyj1409
[
Vasp&Me
]
[已完结]
如何较为准确的获得力常数矩阵?
(3/3019)
thuabalone
2013-12-16
2015-01-27 19:40:13
by
蓝莓微积分
[
Vasp&Me
]
[已完结]
已知反应能垒,可不可以求反应温度?
(4/1276)
对马拉二胡
2015-01-27
2015-01-27 18:35:30
by
对马拉二胡
[
Vasp&Me
]
[已完结]
vasp出现Error reading item 'IMAGES' from file INCAR请问哪错了?
(0/1288)
枫魔馨
2015-01-27
2015-01-27 17:19:09
by
枫魔馨
[
MS
]
[已完结]
三价Cr和六价Cr在SrTiO3晶体中的掺杂的晶胞建立是怎样的?
(1/610)
changle88
2015-01-27
2015-01-27 15:48:32
by
changle88
[
Vasp&Me
]
[已完结]
VASP中偶极矩修正是如何做的?
(0/3953)
chinamanner1
2015-01-27
2015-01-27 14:50:23
by
chinamanner1
[
热点前沿
]
[已完结]
对于价带顶及导带底分属不同自旋的半导体,可以直接跃迁吗?
(4/1265)
奔跑的爷们
2015-01-26
2015-01-27 14:38:00
by
奔跑的爷们
[
Vasp&Me
]
[已完结]
求当施加单轴应变(如x方向)较多时的shell 脚本
(4/1487)
骆驼忍着
2015-01-22
2015-01-26 23:23:15
by
liqizuiyang
[
MS
]
【求助】MS forcite动力学问题
(
1
2
)
(评阅+2)
(13/2742)
tjufyn
2010-08-24
2015-01-26 17:34:30
by
lidihui1992
[
MS
]
[已完结]
求各位大神帮忙修背底
(0/410)
zhenglijun-8
2015-01-26
2015-01-26 15:51:22
by
zhenglijun-8
[
Vasp&Me
]
[已完结]
如何从状态密度(DOS)分析来判断吸附稳定性?
(
1
2
)
(11/2701)
gfunction
2012-05-10
2015-01-26 15:08:43
by
vallen
[
Abinit
]
[已完结]
安装openmpi时出现错误,如何解决?
(1/4217)
TS_boy
2015-01-26
2015-01-26 15:02:06
by
未岸亡灵
[
MS
]
[已完结]
win7 32位,求助适合的material studio,邮箱junfei_w@126.com
(2/3931)
junfei_w
2015-01-24
2015-01-26 11:20:26
by
junfei_w
[
热点前沿
]
[已完结]
不同温度下 六方晶系的结构参数的变化
(0/447)
无缘无怨
2015-01-26
2015-01-26 09:45:31
by
无缘无怨
[
MS
]
[已完结]
MS画图求助
(0/395)
emmachen
2015-01-26
2015-01-26 09:32:22
by
emmachen
[
Vasp&Me
]
讨论个技术性问题,实验当中的【势垒】和计算当中的【静电势】之间的关系。
(7/1103)
一川烟草
2014-12-21
2015-01-25 22:14:17
by
一川烟草
[
其他
]
[已完结]
cygwin使用中的问题····
(1/374)
木木菜
2013-06-10
2015-01-25 21:23:32
by
碳一化工
[
MS
]
[已完结]
CASTEP计算EELS相关问题求助
(0/814)
孙东加油
2015-01-25
2015-01-25 09:55:58
by
孙东加油
[
Vasp&Me
]
[已完结]
cpu效率低下
(7/1276)
swuhaizhilan
2015-01-24
2015-01-25 08:57:48
by
未岸亡灵
[
Vasp&Me
]
[已完结]
带电体系能量 ----计算
(2/2355)
Janus2024
2015-01-24
2015-01-25 01:58:20
by
stractor
[
MS
]
[已完结]
[关贴]
XRD精修
(评阅-20)
(4/1227)
276897678976
2015-01-17
2015-01-24 20:20:03
by
ljw4010
[
Siesta&
]
SIESTA scf不收敛,怎么办?
(5/2465)
smartly
2011-02-25
2015-01-24 18:55:49
by
xwu10
[
MS
]
castep有两处可以看各个原子磁性,请问这两种结果的差异?
(10/903)
七夕墨
2015-01-24
2015-01-24 12:57:30
by
冲着太阳微笑
[
Wien2k&
]
[已完结]
联网/IP
(2/541)
513014736
2015-01-23
2015-01-24 12:54:36
by
513014736
[
MS
]
tio2 掺杂和氧空位问题的讨论
(0/2070)
haodalong218
2015-01-24
2015-01-24 12:10:10
by
haodalong218
[
MS
]
[已完结]
Material-studio 6.0安装和卸载问题
(1/2977)
JJ20
2015-01-24
2015-01-24 11:40:26
by
ljw4010
[
Vasp&Me
]
[已完结]
晶格弛豫与结构弛豫
(
1
2
)
(18/5695)
sungjen
2013-10-06
2015-01-24 07:26:52
by
计算化学新人
[
MS
]
[已完结]
请教,在同一台机子上用虚拟机装客服端,真实机子装服务器好,还是反过来好呢?
(3/654)
topkzq
2015-01-21
2015-01-23 21:00:49
by
topkzq
[
MS
]
[已完结]
询问castep 出现这样的失败窗口的原因
(6/804)
七夕墨
2015-01-21
2015-01-23 19:33:33
by
飞行鸟
[
MS
]
[已完结]
建模急求关于Mn4B完整结构的文献
(0/186)
ysun2014
2015-01-23
2015-01-23 19:10:23
by
ysun2014
[
Vasp&Me
]
[已完结]
求助γ-Al2O3
(1/277)
枫寒
2015-01-23
2015-01-23 17:57:27
by
未岸亡灵
[
MS
]
[已完结]
介孔碳的分子模型怎么构建
(0/381)
abczjp
2015-01-23
2015-01-23 15:07:52
by
abczjp
[
Vasp&Me
]
[已完结]
加压后光的吸收谱变化
(5/1048)
zyqh
2015-01-22
2015-01-23 15:07:05
by
飞行鸟
[
Vasp&Me
]
[求助]光吸收系数
(13/5224)
小豆sumy
2011-11-22
2015-01-23 13:40:17
by
天罡寒星
[
Vasp&Me
]
【求助成功】WARNING: dimensions on CHGCAR file are different
(
1
2
)
(10/7116)
bnliu
2010-11-05
2015-01-23 12:54:40
by
zyqh
[
MS
]
[已完结]
Materials-studio 6.0
(2/506)
JJ20
2015-01-23
2015-01-23 10:58:20
by
ljw4010
[
MS
]
[已完结]
用castep计算体心立方Fe的弹性常数自旋怎么设置?
(0/1018)
guorui50000
2015-01-23
2015-01-23 09:43:10
by
guorui50000
[
Vasp&Me
]
[已完结]
计算贵金属的NEB出现问题
(0/487)
maoshanjun
2015-01-22
2015-01-22 21:59:35
by
maoshanjun
[
MS
]
[已完结]
关于Castep 算晶面上吸附的吸附模型的建立,表面饱和悬空键原子位置的提问
(1/1511)
王梦ariel
2014-09-13
2015-01-22 17:50:17
by
王wzz
[
热点前沿
]
洋葱方法可以做EDA分析么?
(0/243)
川仔猫
2015-01-22
2015-01-22 16:35:36
by
川仔猫
[
Vasp&Me
]
[已完结]
如何用origin画出CHGCAR的等值线的图?急求!
(3/1525)
张文彪
2015-01-21
2015-01-22 14:23:14
by
鹰羽龙
[
Vasp&Me
]
[已完结]
弛豫不收敛,怎么破?
(4/1271)
小地雷2014
2014-12-18
2015-01-22 13:14:48
by
蓝莓微积分
[
Vasp&Me
]
[已完结]
急求教:p4vasp 打开xml文件时 提示 error reading property NAME
(
1
2
)
(14/5775)
stewart1922
2012-04-18
2015-01-22 12:47:48
by
highpeter
[
Vasp&Me
]
[已完结]
自己dos计算得到的带隙与文献相差很大
(6/2409)
jing0431
2015-01-21
2015-01-22 12:37:36
by
wuli8
[
MS
]
[已完结]
Dmol 中的Calculate partial hessian 是什么意思?
(4/1400)
cshcgy
2012-04-17
2015-01-22 05:49:44
by
卡开发发
[
MS
]
[已完结]
castep问题求助
(
1
2
3
)
(29/4340)
xiaobo5412
2014-05-11
2015-01-22 05:43:38
by
ysun2014
[
Vasp&Me
]
【求助】vasp5.2用B3LYP计算
(
1
2
3
)
(21/3936)
ljx2006
2010-06-07
2015-01-21 21:02:36
by
stractor
[
MS
]
[已完结]
2*Integrated Spin Density
(0/1185)
alix
2015-01-21
2015-01-21 20:33:43
by
alix
[
其他
]
[已完结]
自旋轨道耦合
(0/682)
605167923
2015-01-21
2015-01-21 16:46:27
by
605167923
[
MS
]
[已完结]
CASTEP 里 Hirshfeld Analysis的具体解释
(2/2617)
suxin_phy
2014-12-10
2015-01-21 15:24:39
by
suxin_phy
[
MS
]
[已完结]
spin 以及 alpha and beta
(6/1600)
wangle_17
2015-01-20
2015-01-21 13:04:41
by
wangle_17
[
Siesta&
]
[已完结]
关于结构优化
(6/1286)
desperadp
2015-01-18
2015-01-21 10:55:43
by
孙远慧
[
Vasp&Me
]
[已完结]
[关贴]
HSE计算的一些问题,希望大家帮我解决谢谢
(
1
2
)
(13/3212)
wangyan6930
2015-01-06
2015-01-21 08:02:15
by
wangyan6930
[
MS
]
[已完结]
MS7.0-castep板块并行问题,只能用一个核算,两个核以上就会出错!这是为什么啊?
(4/943)
吕小强强
2014-10-05
2015-01-21 06:56:51
by
一刀胡
[
Vasp&Me
]
【求助】请问VASP如何固定住磁矩进行计算
(9/2529)
calos818
2011-04-05
2015-01-20 21:47:13
by
fzx2008
[
MS
]
Castep结构优化,需要make P1吗?
(0/2544)
diezhuzhu
2015-01-20
2015-01-20 21:19:06
by
diezhuzhu
[
Vasp&Me
]
【求助】VASP怎么考虑自旋极化?
(14/7497)
xiaowu787
2010-11-18
2015-01-20 14:32:15
by
taoyanyaya
[
Vasp&Me
]
[已完结]
非极性表面模型中的赝势氢是否必须?
(5/1208)
gfunction
2015-01-18
2015-01-20 11:04:42
by
未岸亡灵
[
Vasp&Me
]
表面计算出错TACC: MPI job exited with code: 1
(1/845)
huyaoqiao
2015-01-20
2015-01-20 10:25:59
by
huyaoqiao
[
MS
]
[已完结]
castep计算bandstr后模型发生移动
(8/1365)
446181697
2015-01-17
2015-01-19 23:25:55
by
njuedu007
[
MS
]
[已完结]
请问ms中用castep计算得到的absorption是什么意义?
(1/974)
小布丢
2015-01-18
2015-01-19 21:20:02
by
mhslee
[
其他
]
新型薄膜太阳电池北京市重点实验室博士后招聘
(3/741)
lgljk
2015-01-15
2015-01-19 21:11:23
by
tsglss
[
Vasp&Me
]
[已完结]
CrO2
(8/1144)
Misschen
2015-01-13
2015-01-19 20:03:55
by
Misschen
[
MS
]
[已完结]
被发光学报退稿了
(9/2417)
shixiuyang
2014-09-13
2015-01-19 17:39:50
by
tsglss
[
MS
]
[已完结]
请高手帮我看看怎样从这组能带数据得到它的有效质量
(7/945)
zyqh
2015-01-04
2015-01-19 15:50:30
by
zyqh
[
MS
]
[已完结]
建造纳米晶胞FeCuNbSiB结构
(0/209)
lizaza
2015-01-19
2015-01-19 15:11:27
by
lizaza
[
MS
]
[已完结]
Ms建模问题
(2/460)
fq090220
2015-01-19
2015-01-19 15:10:14
by
fq090220
36088
166/361
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