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Vasp&MedeA
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热点
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售SCI文章,我:8O5.5.1.O.54,科目齐全,可+急
XJXMuRjD7cK7
2026-11-15
刚刚
[
Vasp&Me
]
[已完结]
如何查看已编译好的VASP的版本
(1/4882)
skyzhangy
2012-04-25
2012-04-25 13:22:35
by
huangll99
[
Vasp&Me
]
[已完结]
计算电荷密度,fortran stop
(0/238)
lchchl
2012-04-25
2012-04-25 11:05:55
by
lchchl
[
Vasp&Me
]
[已完结]
请假:vasp如何优化单层原子的体系呢?本人新手,希望能说的明白点!
(4/1641)
yangprc
2011-05-16
2012-04-25 07:49:09
by
dingfengbo
[
Vasp&Me
]
怎样用vesta画电荷密度
(1/668)
jixiao0526
2012-04-24
2012-04-24 21:34:01
by
ApolloYang
[
Vasp&Me
]
[已完结]
split_dos 运行中的问题
(2/465)
lxf8101
2012-04-24
2012-04-24 17:26:23
by
lxf8101
[
Vasp&Me
]
[已完结]
求远程协助,集群安装并行版VASP
(3/1337)
shjzhang7076
2012-04-14
2012-04-24 16:46:23
by
shjzhang7076
[
Vasp&Me
]
[已完结]
Gotoblas2 安装失败
(3/1766)
bill686433
2012-04-24
2012-04-24 15:23:53
by
emilyoyang
[
Vasp&Me
]
[已完结]
寻高手指教,这个图是用什么软件,怎么画出来的
(1/798)
xiaoluoj
2012-04-23
2012-04-24 08:06:38
by
hedaors
[
Vasp&Me
]
【求助】200金币求可用的vasp
(7/1355)
mengfc
2011-04-08
2012-04-24 05:58:33
by
qlm2001
[
Vasp&Me
]
【求助】关于稀土元素的4f轨道
(
1
2
)
(15/4258)
含草
2010-09-09
2012-04-23 13:03:21
by
Jack船长
[
Vasp&Me
]
[已完结]
vasp中怎样可视化原子轨道
(
1
2
3
)
(24/4732)
uuv2010
2012-04-16
2012-04-23 11:33:37
by
hakuna
[
Vasp&Me
]
[已完结]
openmpi安装问题
(
1
2
)
(17/4531)
shelay
2012-02-07
2012-04-23 11:15:42
by
dxf_dxf_dxf
[
Vasp&Me
]
[已完结]
求助 GaAs纳米线的掺杂
(0/329)
狗狗529
2012-04-05
2012-04-23 10:59:50
by
狗狗529
[
Vasp&Me
]
[已完结]
VASP程序中怎样计算费米能级的
(0/3515)
panhaijun
2012-04-23
2012-04-23 09:47:12
by
panhaijun
[
Vasp&Me
]
[已完结]
利用VASP计算材料的力学性质,用不用考虑 GGA+U 和 自旋 ???
(3/1863)
sinaplwg
2012-04-20
2012-04-23 09:04:36
by
sinaplwg
[
Vasp&Me
]
稀磁半导体的计算
(3/545)
zhilanga
2012-04-17
2012-04-22 23:40:07
by
zhilanga
[
Vasp&Me
]
[已完结]
vasp.5.2.12并行计算过程中cpu100%负荷,但是没有数据输出.
(0/361)
小木虫于
2012-04-22
2012-04-22 19:31:02
by
小木虫于
[
Vasp&Me
]
[已完结]
为什么我的形成能是线性的
(1/413)
dfy50
2012-04-22
2012-04-22 18:03:08
by
gaojunfeng83
[
Vasp&Me
]
[已完结]
[关贴]
体心四方Cu(c/a=1.3)第一原理计算,求VASP输入文件!!!!
(评阅-1)
(1/496)
gaoxiang0415
2012-04-21
2012-04-22 10:18:35
by
06022043
[
Vasp&Me
]
[已完结]
采用PBS脚本第一次提交任务,算了2步就被kill了,有错误提示但不知道原因是什么?
(1/1126)
c03185
2012-04-22
2012-04-22 08:33:51
by
c03185
[
Vasp&Me
]
[已完结]
VASP并行计算时,提示“超过CPU时限”而退出计算。请问如何解决?
(
1
2
)
(11/2856)
c03185
2012-04-19
2012-04-22 07:28:14
by
chenweiguang
[
Vasp&Me
]
[已完结]
OUTCAR中的 total charge 怎么来的啊?
(
1
2
)
(16/2904)
wujiandongde
2011-06-22
2012-04-21 18:12:20
by
wujiandongde
[
Vasp&Me
]
PRB一篇文章的关于价电子移动计算过渡态的问题
(2/798)
wujing110
2012-04-20
2012-04-21 16:47:53
by
wujing110
[
Vasp&Me
]
[已完结]
PBS脚本如何编译?
(5/2305)
c03185
2012-04-21
2012-04-21 16:45:39
by
贺仪
[
Vasp&Me
]
[已完结]
vasp计算能带出错,求助
(1/452)
liufeila
2012-04-21
2012-04-21 12:07:51
by
huangll99
[
Vasp&Me
]
[已完结]
掺杂计算
(2/836)
pevil
2012-04-20
2012-04-20 15:38:10
by
pevil
[
Vasp&Me
]
[已完结]
请问这个图是用什么软件画出来的?
(
1
2
)
(10/3015)
thelrgbird
2012-04-17
2012-04-20 15:12:53
by
thelrgbird
[
Vasp&Me
]
[已完结]
文献说计算值考虑Γ point
(4/2135)
xmr0125
2012-04-18
2012-04-20 12:42:07
by
fzx2008
[
Vasp&Me
]
[已完结]
VASP接FROPHO计算H2时声子谱有虚频怎么办
(
1
2
3
)
(20/3255)
liu108
2012-04-12
2012-04-20 10:17:18
by
liu108
[
Vasp&Me
]
[已完结]
急求vasp家教,网上授课,一天1小时,讲5天
(4/792)
shjzhang7076
2012-03-16
2012-04-19 21:24:19
by
贺仪
[
Vasp&Me
]
[已完结]
求助:表面能slab模型,计算时K点设置
(1/1325)
fangyongxinxi
2012-04-19
2012-04-19 18:22:12
by
hakuna
[
Vasp&Me
]
[已完结]
bader 电荷布居
(3/1356)
dfy50
2012-04-17
2012-04-19 16:59:23
by
dfy50
[
Vasp&Me
]
[已完结]
做出的能带图和文献相差很大,什么情况?
(6/1254)
wanglei200
2011-07-26
2012-04-19 15:46:07
by
狗狗529
[
Vasp&Me
]
[已完结]
静态计算和能带计算
(0/1874)
liufeila
2012-04-19
2012-04-19 15:23:28
by
liufeila
[
Vasp&Me
]
[已完结]
用VASP算Mg的结合能比参考值大很多
(0/687)
l_ripple
2012-04-19
2012-04-19 10:46:18
by
l_ripple
[
Vasp&Me
]
[已完结]
设置为A-AFM,但是基态为C-AFM,那么弛豫后,得到的结构是A-AFM?C-AFM?
(2/514)
tuhaidan
2012-04-16
2012-04-19 09:28:21
by
tuhaidan
[
Vasp&Me
]
vasp计算团簇
(13/2904)
171713294
2012-04-17
2012-04-18 21:53:57
by
奋力拼搏
[
Vasp&Me
]
vasp关键词讲解
(3/1479)
盼望蓝色梦幻
2012-04-17
2012-04-18 21:17:15
by
小雨熊
[
Vasp&Me
]
[已完结]
能带不同方向电子有效质量
(0/1906)
dfy50
2012-04-18
2012-04-18 19:22:25
by
dfy50
[
Vasp&Me
]
[已完结]
vasp 强关联体系
(2/1296)
qujinfeng
2012-04-16
2012-04-18 18:33:33
by
chenweiguang
[
Vasp&Me
]
[已完结]
静态计算 bader布居
(9/1665)
dfy50
2012-04-17
2012-04-18 17:27:36
by
xiaoboy185
[
Vasp&Me
]
怎么看电子收敛
(3/1543)
liuqun
2012-04-15
2012-04-18 17:09:06
by
liuqun
[
Vasp&Me
]
[已完结]
[关贴]
如何从文献中的图片里提取数据?
(7/7163)
ApolloYang
2012-04-17
2012-04-18 15:29:10
by
lllswy
[
Vasp&Me
]
[已完结]
请教bader分析中FFT grid (NGXF, NGYF, and NGZF)的设置
(
1
2
3
)
(24/4972)
lgxyz
2011-09-28
2012-04-18 09:20:54
by
lgxyz
[
Vasp&Me
]
[已完结]
band图在K点处断开了,想问一下是哪里的问题,怎么解决?
(
1
2
)
(11/1360)
sswfnydx
2012-04-15
2012-04-18 08:24:52
by
chenweiguang
[
Vasp&Me
]
[已完结]
H原子 在Al2O3 晶体中掺杂, Kpoints 设置
(6/2103)
bjmaowei25
2012-04-17
2012-04-17 23:29:35
by
ahu1221
[
Vasp&Me
]
[已完结]
GW计算的能带带隙用bandgap.pl不能提取
(0/1631)
ApolloYang
2012-04-17
2012-04-17 09:43:55
by
ApolloYang
[
Vasp&Me
]
[已完结]
C-AFM, G-AFM MAGMOM=?
(1/1057)
tuhaidan
2012-04-16
2012-04-16 17:28:35
by
zhang668
[
Vasp&Me
]
[已完结]
vasp编译出问题,求助各位大神
(
1
2
)
(15/1765)
小鱼儿他哥
2012-04-13
2012-04-16 15:40:24
by
liliangfang
[
Vasp&Me
]
[已完结]
费米能级
(2/491)
dfy50
2012-04-16
2012-04-16 13:51:46
by
dfy50
[
Vasp&Me
]
[已完结]
还是关于GW 计算
(3/1285)
njuxyh
2012-04-14
2012-04-16 10:02:19
by
liliangfang
[
Vasp&Me
]
驰豫结果与AIMD结果不一样?
(0/1782)
wangyujia
2012-04-16
2012-04-16 09:52:43
by
wangyujia
[
Vasp&Me
]
[已完结]
电子有效质量
(6/1357)
dfy50
2012-04-13
2012-04-14 18:06:04
by
dfy50
[
Vasp&Me
]
[关贴]
好多的HSE方法算能带,有没有成功算GW能带的?
(9/2107)
ApolloYang
2012-04-09
2012-04-13 22:29:56
by
ApolloYang
[
Vasp&Me
]
[已完结]
VASP入门指南 原版(英文版)
(4/1121)
狗狗529
2012-04-12
2012-04-13 16:05:08
by
狗狗529
[
Vasp&Me
]
total energy and ZPE for K and KH
(0/322)
liu108
2012-04-13
2012-04-13 15:42:36
by
liu108
[
Vasp&Me
]
[已完结]
lib*.so.3这些文件是如何生成的?
(
1
2
)
(15/2047)
tt-0-8
2012-03-27
2012-04-13 15:10:30
by
iamikaruk
[
Vasp&Me
]
[已完结]
vasp下的wannier
(0/769)
chenhui1228
2012-04-13
2012-04-13 14:06:25
by
chenhui1228
[
Vasp&Me
]
[已完结]
寻找DDT
(4/522)
zsl_321123
2012-04-13
2012-04-13 11:57:30
by
liu108
[
Vasp&Me
]
[已完结]
VASP 4.6 安装出错?????在线等
(
1
2
3
)
(20/3138)
juliantiger
2012-04-01
2012-04-12 19:29:16
by
juliantiger
[
Vasp&Me
]
Free energy TOTEN 与energy without entropy 有什么区别啊?
(2/2747)
didadida321
2012-04-12
2012-04-12 16:34:16
by
didadida321
[
Vasp&Me
]
[已完结]
缺陷的不同带电价态是如何理解
(1/1244)
xiaoluoj
2012-04-11
2012-04-11 14:11:50
by
huangll99
[
Vasp&Me
]
[已完结]
费米面附近出现一个比较大的峰,这是体系不稳定的信号么?
(
1
2
3
)
(23/2856)
jugengfans
2012-04-06
2012-04-11 12:26:05
by
jugengfans
[
Vasp&Me
]
[已完结]
Vasp 用PAW算PDOS时和电荷布居时,RWIGS的值会不会有影响?
(2/894)
jugengfans
2012-04-07
2012-04-11 11:31:01
by
jugengfans
[
Vasp&Me
]
[已完结]
半导体SnO2掺杂变成导体可以通过求电子有效质量来判断导电性强弱么
(0/653)
dfy50
2012-04-11
2012-04-11 08:47:41
by
dfy50
[
Vasp&Me
]
[已完结]
电荷密度图
(7/1018)
liuqun
2012-03-30
2012-04-10 20:48:39
by
liuqun
[
Vasp&Me
]
[已完结]
问题:vasp计算突然中断,cpu利用率显示为0,这是什么情况,没有断电
(3/2154)
gougou531
2012-04-10
2012-04-10 18:38:25
by
hedaors
[
Vasp&Me
]
vasp下的molden读出的图形跟MS建模的结构差距太大
(4/1051)
liufeila
2012-04-09
2012-04-10 09:11:31
by
liufeila
[
Vasp&Me
]
Bismuth的POTCAR为什么会以Pb开始
(2/377)
lchchl
2012-04-09
2012-04-10 09:09:54
by
lchchl
[
Vasp&Me
]
[已完结]
请问此势能面如何做?
(6/3108)
piaoxue001
2012-04-09
2012-04-10 09:00:00
by
piaoxue001
[
Vasp&Me
]
【求助成功】什么叫“驰豫计算”
(5/2195)
Prettyswan
2010-07-02
2012-04-10 06:24:16
by
yalefield
[
Vasp&Me
]
[已完结]
缺陷形成能计算
(
1
2
)
(11/7455)
chengliping
2011-11-18
2012-04-09 17:42:13
by
pyuting
[
Vasp&Me
]
[已完结]
敬请高手分析一下下面的差分电荷密度图
(2/776)
fly_elephan
2012-04-07
2012-04-09 10:48:28
by
s20080718
[
Vasp&Me
]
[已完结]
请教各位大侠 这种能带图是怎么画的?
(1/1645)
stewart1922
2012-04-09
2012-04-09 10:43:25
by
s20080718
[
Vasp&Me
]
[已完结]
vasp 那些参数设置可以影响到磁性计算的磁矩
(
1
2
)
(12/5667)
gougou531
2011-11-12
2012-04-09 07:39:53
by
lnzwyh
[
Vasp&Me
]
[已完结]
收敛测试, LaFeO3, 能量变化异常
(0/602)
qphll
2012-04-09
2012-04-09 01:02:12
by
qphll
[
Vasp&Me
]
[已完结]
vasp编译
(7/1084)
huangyc
2012-04-07
2012-04-08 20:45:10
by
huangyc
[
Vasp&Me
]
[已完结]
求助,VASP下怎么用molden读出图形
(2/614)
liufeila
2012-04-07
2012-04-08 15:43:06
by
liufeila
[
Vasp&Me
]
[已完结]
求助VASP计算有效质量的输入文件示例
(3/1526)
wanggy789
2012-04-07
2012-04-08 13:34:42
by
fzx2008
[
Vasp&Me
]
[已完结]
求助!!运行mpirun总是出错
(1/3694)
njhf
2012-04-05
2012-04-07 15:03:39
by
liliangfang
[
Vasp&Me
]
[已完结]
利用GGA+U计算ZnO带隙的问题
(3/2073)
tider
2011-12-26
2012-04-07 14:07:49
by
JemmyGuns
[
Vasp&Me
]
[已完结]
断电 ISTART=1 WAVECAR:different cutoff or change in lattice found
(8/3771)
tuhaidan
2012-02-08
2012-04-07 10:18:56
by
静@思
[
Vasp&Me
]
[已完结]
非共线能带计算中kpoints改变之后出错
(2/666)
liuhuimeiwoo
2012-04-06
2012-04-07 09:46:23
by
liuhuimeiwoo
[
Vasp&Me
]
[已完结]
DOS 能带结构 E-fermi
(4/2288)
tuhaidan
2012-04-06
2012-04-06 23:02:23
by
uuv2010
[
Vasp&Me
]
[已完结]
求助,同一种材料,算不同结构时,ISIF取几呢
(5/1545)
zhangdelin0000
2012-04-06
2012-04-06 17:06:49
by
zhangdelin0000
[
Vasp&Me
]
[已完结]
单原子在金红石结构中的能量
(4/1852)
dfy50
2012-04-04
2012-04-06 17:01:06
by
rxd337
[
Vasp&Me
]
[已完结]
两个原子的局域态密度在费米处重叠
(4/2968)
windblue
2012-04-02
2012-04-06 13:46:11
by
tider
[
Vasp&Me
]
[已完结]
求助:LDA+U计算时,Sr的U、J参数取为多少?
(2/881)
WDD880227
2012-04-05
2012-04-06 00:29:26
by
souledge
[
Vasp&Me
]
精华
I
:
【分享】VASP程序源代码[vasp-source-4.6.20].
(43/11211)
zhaohscas1976
2009-05-09
2012-04-05 19:23:52
by
rainxin2008
[
Vasp&Me
]
[已完结]
磷酸钒锂的结构图cif 文件
(2/894)
灵灵呢
2011-12-08
2012-04-05 17:40:32
by
fzx2008
[
Vasp&Me
]
[已完结]
使用VASP模拟计算材料的电容值
(0/738)
huangL0905
2012-04-05
2012-04-05 15:06:07
by
huangL0905
[
Vasp&Me
]
[已完结]
[求助]对掺杂Fe的半导体进行磁性计算
(2/638)
lizeqian
2012-04-04
2012-04-05 12:37:19
by
lizeqian
[
Vasp&Me
]
[专家]
[已完结]
使用PGI编译VASP中无法使用长数组
(5/2031)
souledge
2012-04-03
2012-04-04 19:39:26
by
souledge
[
Vasp&Me
]
磁性计算
(2/807)
x夏日的约定
2012-03-30
2012-04-04 19:24:55
by
lixin880529
[
Vasp&Me
]
[已完结]
vasp中的化学键怎么体现出来呢?
(
1
2
)
(18/2521)
qianbj2006
2012-03-27
2012-04-04 16:48:29
by
神迹天空
[
Vasp&Me
]
[已完结]
如何提高vasp.5的速度
(2/1254)
huangyc
2012-04-03
2012-04-04 15:06:06
by
huangyc
[
Vasp&Me
]
[已完结]
EDIFF单位的问题,急用
(4/2122)
静@思
2012-04-02
2012-04-03 14:56:54
by
thinkllh
[
Vasp&Me
]
【求助】vasp能不能计算半导体在一定偏压下电流的大小呢?
(5/1518)
贺仪
2010-10-25
2012-04-03 07:47:30
by
ya_mde
[
Vasp&Me
]
[已完结]
有关吸附能
(2/645)
othniel0291
2012-03-31
2012-04-02 16:32:14
by
dazao
[
Vasp&Me
]
[已完结]
电子构型如何写
(
1
2
)
(12/3973)
静@思
2012-04-02
2012-04-02 13:01:01
by
静@思
11445
94/115
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