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Vasp&MedeA
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[
热点
]
面上基金申报没有其他的参与者成吗
默默的小虫子
2026-02-02
刚刚
[
Vasp&Me
]
[已完结]
计算态密度时有的原子没有态密度
(0/611)
pevil
2012-07-18
2012-07-18 09:08:13
by
pevil
[
Vasp&Me
]
[已完结]
上手练习中的LDOS图怎么画
(5/2368)
yk2425
2011-09-21
2012-07-17 20:05:23
by
578513439
[
Vasp&Me
]
[已完结]
vasp计算结果中怎么查看bands带隙和磁矩?
(0/3380)
niuxiaoqi721
2012-07-17
2012-07-17 15:52:54
by
niuxiaoqi721
[
Vasp&Me
]
有关结构在晶胞中的位置问题
(1/454)
stevencong
2012-07-15
2012-07-17 09:10:59
by
wuyuxiah
[
Vasp&Me
]
[已完结]
纳米线截面大小选取
(1/398)
forestwolf9291
2012-07-14
2012-07-15 11:52:40
by
forestwolf9291
[
Vasp&Me
]
[已完结]
[关贴]
vasp 安装问题
(0/398)
gyldmy
2012-07-13
2012-07-13 21:08:43
by
gyldmy
[
Vasp&Me
]
【求助】各位大侠!小女子求助钙钛矿结构计算磁性的问题?
(36/4565)
hyff0809
2011-04-11
2012-07-13 14:25:41
by
amberkaka
[
Vasp&Me
]
[已完结]
请问VASP5.2的源程序里,关于自洽计算部分的主要源程序有哪些?
(1/373)
学员dcmbNi
2012-07-12
2012-07-13 10:17:09
by
liuchangzzw
[
Vasp&Me
]
[已完结]
修改RWIGS 维格纳半径之后,差分电荷密度会不会变化
(4/1527)
pevil
2012-07-11
2012-07-12 16:20:37
by
orbital
[
Vasp&Me
]
[已完结]
带电体系的弛豫计算: 难收敛问题
(9/2160)
umklapp
2012-06-26
2012-07-12 10:57:29
by
umklapp
[
Vasp&Me
]
[已完结]
我的差分电荷密度正常吗?能不能给个提示。谢谢啦!
(
1
2
)
(19/1863)
c03185
2012-06-27
2012-07-12 10:12:31
by
hwceng0816
[
Vasp&Me
]
[已完结]
vasp 集群并行出错
(7/1511)
lightgjx
2012-07-08
2012-07-12 08:21:10
by
lightgjx
[
Vasp&Me
]
从OUTCAR中得到总能
(9/3062)
狗狗529
2012-07-10
2012-07-11 12:14:16
by
condensed
[
Vasp&Me
]
【求助】能否发一份用vasp计算超晶胞某个表面的输入文件给我
(7/2088)
缺心眼桌
2010-06-29
2012-07-11 08:40:11
by
robinson8607
[
Vasp&Me
]
[已完结]
谁能给我个libgoto.so文件,谢谢
(评阅-2)
(2/368)
aylixmut
2012-07-09
2012-07-10 21:16:55
by
aylixmut
[
Vasp&Me
]
[已完结]
提交作业问题
(1/574)
xiongb123456
2012-07-10
2012-07-10 14:37:52
by
likai0106
[
Vasp&Me
]
[已完结]
光学性质中的能量
(0/209)
wswangs
2012-07-10
2012-07-10 11:25:15
by
wswangs
[
Vasp&Me
]
[已完结]
Ubuntu下p4vasp 安装好了没菜单栏,python2.6-dev装不上
(2/838)
ted1277
2012-07-09
2012-07-10 11:25:00
by
ted1277
[
Vasp&Me
]
[已完结]
怎么分析表面能带图哪些带是surface state
(3/771)
lyylyy1
2012-05-20
2012-07-10 09:44:28
by
lyylyy1
[
Vasp&Me
]
[已完结]
看到有人计算磁性材料时,设置参数如下,不知道有必要没有?
(1/1257)
niuxiaoqi721
2012-07-09
2012-07-10 09:43:59
by
dhc198611
[
Vasp&Me
]
[已完结]
态密度计算 vasp 4.6 计算Zn原子的PDOS 关于Zn(3d104s2)的4p对价带的贡献
(4/1625)
ares119
2012-07-03
2012-07-10 07:01:36
by
umklapp
[
Vasp&Me
]
HSE算到一半断电了怎么办?
(1/303)
mazuju028
2012-07-09
2012-07-09 16:28:25
by
mazuju028
[
Vasp&Me
]
[已完结]
vasp输出文件OSZICAR中的mag是什么意思
(4/4364)
xiaoluoj
2012-07-07
2012-07-09 13:08:03
by
umklapp
[
Vasp&Me
]
[已完结]
用Phonon计算fcc声子谱不能选择[110]方向?
(4/1495)
舞昂琦VoVo
2012-07-07
2012-07-08 12:19:34
by
souledge
[
Vasp&Me
]
【求助】如何用DOSCAR画态密度呢
(12/2820)
ustbwgs
2011-04-04
2012-07-07 17:08:46
by
fyuewen
[
Vasp&Me
]
[已完结]
吸附能为负值应该如何解释?
(6/7740)
gfunction
2012-07-06
2012-07-07 14:24:11
by
uuv2010
[
Vasp&Me
]
[已完结]
idos
(5/566)
liuqun
2012-07-06
2012-07-07 10:26:14
by
lbing9002
[
Vasp&Me
]
【求助】求助金属的晶格常数值(实验值)
(
1
2
)
(17/1270)
fulin
2010-09-15
2012-07-07 05:35:20
by
guifan
[
Vasp&Me
]
[已完结]
用vasp计算的时候,输出文件怎么会出现下面这个文件?
(0/299)
fy-dream
2012-07-06
2012-07-06 17:19:56
by
fy-dream
[
Vasp&Me
]
请大牛指教。关于截断动能、原子数目,K点密度
(4/1297)
dyc_2008
2012-07-06
2012-07-06 16:27:30
by
dyc_2008
[
Vasp&Me
]
[已完结]
四方相 铁电极化 berry phase
(2/302)
tuhaidan
2012-07-03
2012-07-06 03:57:07
by
umklapp
[
Vasp&Me
]
[已完结]
四方相 结构优化 ISIF?
(8/926)
tuhaidan
2012-07-03
2012-07-05 19:33:32
by
mousekingadv
[
Vasp&Me
]
[已完结]
装ATLAS的时候报错,谁知道怎么解决?
(0/752)
whb06370283
2012-07-05
2012-07-05 19:26:44
by
whb06370283
[
Vasp&Me
]
[已完结]
求助VASP SCF出错
(0/1055)
feier~
2012-07-05
2012-07-05 09:00:05
by
feier~
[
Vasp&Me
]
计算介电常数离子贡献的理解
(3/906)
lufly89
2012-05-29
2012-07-04 14:58:30
by
lufly89
[
Vasp&Me
]
[已完结]
在用Vasp计算时,遇到的问题
(8/2495)
fy-dream
2012-07-02
2012-07-04 09:51:51
by
fys131415
[
Vasp&Me
]
[已完结]
vasp 计算 DOS 设置RWIGS ?
(4/1656)
fangyongxinxi
2012-05-20
2012-07-03 19:47:29
by
mousekingadv
[
Vasp&Me
]
[已完结]
vasp能带计算,DOS计算
(3/1475)
xiehui0608
2012-03-08
2012-07-03 16:53:19
by
mousekingadv
[
Vasp&Me
]
[已完结]
VASP:原子中没有的轨道为什么出现在DOS里面
(7/1492)
fangyongxinxi
2012-05-25
2012-07-03 16:07:32
by
lbing9002
[
Vasp&Me
]
[已完结]
用VASP做体内间隙掺杂!!求助
(0/476)
mxl10000
2012-07-03
2012-07-03 12:10:26
by
mxl10000
[
Vasp&Me
]
[已完结]
计算空位石墨烯得到的DOS与文献不符
(8/1457)
梦里花
2012-07-01
2012-07-03 11:28:43
by
梦里花
[
Vasp&Me
]
[已完结]
关于phonopy的小问题
(3/1296)
just_play
2011-12-20
2012-07-02 14:02:57
by
yayanoba
[
Vasp&Me
]
[已完结]
如何用第一原理计算成键能量
(
1
2
)
(10/2395)
gfunction
2012-06-27
2012-07-02 08:56:21
by
谷子超
[
Vasp&Me
]
[已完结]
电荷密度中,有的原子不显示,请问是为什么?
(
1
2
)
(10/1671)
c03185
2012-06-27
2012-07-01 06:59:51
by
c03185
[
Vasp&Me
]
[已完结]
请教有人用过黄良锋的hTST_code作指前因子计算不?
(
1
2
)
(10/1193)
04nylxb
2012-06-27
2012-06-30 23:02:32
by
04nylxb
[
Vasp&Me
]
[已完结]
采用不同的ISMEAR,为什么dos会有如此大不同
(3/1122)
xiaoluoj
2012-06-28
2012-06-29 23:57:23
by
umklapp
[
Vasp&Me
]
[已完结]
想计算用氧饱和的硅纳米线能带,如何在硅纳米线表面加氧形成氧化层?
(5/1194)
leisy
2012-06-26
2012-06-29 23:25:29
by
leisy
[
Vasp&Me
]
[已完结]
如何编译VASP的vtst的code?
(
1
2
)
(15/2616)
liufeila
2012-06-15
2012-06-29 09:09:53
by
xiongb123456
[
Vasp&Me
]
[已完结]
求助-关于VASP计算 服务器配置问题
(5/1470)
qlm2001
2012-06-26
2012-06-28 20:18:16
by
04nylxb
[
Vasp&Me
]
[已完结]
急!有关自旋极化和自旋磁矩的问题
(4/2323)
阿黛拉
2012-06-27
2012-06-28 09:13:02
by
piaoxue001
[
Vasp&Me
]
[已完结]
静态计算
(4/581)
yxz476440843
2012-04-25
2012-06-28 07:07:28
by
yxz476440843
[
Vasp&Me
]
[已完结]
p4vasp和gnuplot怎么画DOS和能带图
(0/2382)
AesNaegea
2012-06-27
2012-06-27 21:47:30
by
AesNaegea
[
Vasp&Me
]
[已完结]
berry phase 电极化 偏小
(
1
2
)
(12/720)
tuhaidan
2012-06-24
2012-06-27 21:15:34
by
spur
[
Vasp&Me
]
[已完结]
flexible boundary condition VS periodic boundary condition?
(0/215)
dyc_2008
2012-06-27
2012-06-27 16:11:45
by
dyc_2008
[
Vasp&Me
]
[已完结]
CINEB
(2/1223)
liuqun
2012-06-11
2012-06-27 15:33:30
by
liuqun
[
Vasp&Me
]
[已完结]
能带图小问题
(评阅-10)
(6/465)
人生果
2012-06-27
2012-06-27 14:41:36
by
人生果
[
Vasp&Me
]
【求助】如何用castep计算一条能带的电荷密度
(4/922)
hiyangyue
2011-04-08
2012-06-27 13:01:54
by
lixiao85
[
Vasp&Me
]
[已完结]
紧急求助!!!!计算硫酸锌的介电常数
(0/501)
ssmile37
2012-06-26
2012-06-26 14:56:21
by
ssmile37
[
Vasp&Me
]
[已完结]
求助:如果在vasp中加磁场
(
1
2
)
(11/2151)
liuhuimeiwoo
2012-06-07
2012-06-26 13:31:29
by
wenjlu
[
Vasp&Me
]
[已完结]
[关贴]
求助几个元素的赝势
(0/471)
花无刺
2012-06-26
2012-06-26 08:51:26
by
花无刺
[
Vasp&Me
]
[已完结]
新手求教! 在VASP中 怎样加入电子或空穴 并固定电子或空穴的位置呢?
(2/1704)
xingyexue
2012-06-25
2012-06-25 23:37:19
by
umklapp
[
Vasp&Me
]
[已完结]
HSE能否进行非自洽的计算
(
1
2
)
(10/2056)
lascqy
2012-05-18
2012-06-25 21:22:11
by
lbing9002
[
Vasp&Me
]
[已完结]
求助高手帮忙解决初始磁矩设置问题...
(3/1536)
physiclin
2011-08-26
2012-06-25 21:03:23
by
umklapp
[
Vasp&Me
]
[已完结]
求解掺杂后键长变化的物理机制
(2/555)
physiclin
2011-11-17
2012-06-25 20:48:30
by
umklapp
[
Vasp&Me
]
[已完结]
ENCUT
(2/315)
fjfuzhou
2012-06-20
2012-06-25 20:46:46
by
06022043
[
Vasp&Me
]
[已完结]
CINEB过渡态不收敛
(1/1021)
liufeila
2012-06-25
2012-06-25 16:33:25
by
likai0106
[
Vasp&Me
]
[已完结]
NEB算法如何进行零点能修正
(1/798)
likai0106
2012-05-11
2012-06-25 16:31:57
by
lbing9002
[
Vasp&Me
]
[已完结]
求助关于vasp磁矩设置的说明书的详细理解
(
1
2
)
(12/3855)
physiclin
2011-10-21
2012-06-25 08:31:57
by
shagua8352
[
Vasp&Me
]
[已完结]
能带图的特殊K点问题
(0/699)
yxz476440843
2012-06-23
2012-06-23 22:22:44
by
yxz476440843
[
Vasp&Me
]
[已完结]
怎么让Vasp输出自洽后的Hamiltonian 和 Overlap矩阵?
(5/882)
tsh8167
2012-06-11
2012-06-23 03:07:36
by
umklapp
[
Vasp&Me
]
[已完结]
VASP频率
(5/717)
liuqun
2012-06-21
2012-06-22 17:41:07
by
hakuna
[
Vasp&Me
]
[已完结]
画能带图的时候应该是以哪个费米能级为标准?
(2/1190)
haowenping
2012-06-21
2012-06-22 11:01:57
by
boqun09
[
Vasp&Me
]
[已完结]
求vasp输出文件中每一行代表意思的详解
(1/343)
fy-dream
2012-06-21
2012-06-22 08:48:25
by
yinwei_li
[
Vasp&Me
]
[已完结]
关于vasp的INCAR中NUPDOWN设置问题
(1/982)
xiongb123456
2012-06-20
2012-06-20 17:02:47
by
xiongb123456
[
Vasp&Me
]
【求助】费米能级不在导带和价带中间
(13/9560)
海湾
2011-04-01
2012-06-20 14:44:23
by
498552682
[
Vasp&Me
]
[已完结]
静态计算忘记写一个文件了, 怎么补救?
(2/424)
xiaoluoj
2012-06-19
2012-06-20 12:37:04
by
xiaoluoj
[
Vasp&Me
]
[已完结]
在VASP计算中参数ISIF怎样设置才合理
(1/1091)
qiaohongbo
2012-06-19
2012-06-19 11:19:32
by
wangziyan3
[
Vasp&Me
]
[已完结]
怎么从HSE的输出中看运行进度?
(2/1145)
mazuju028
2012-06-18
2012-06-18 23:12:33
by
mazuju028
[
Vasp&Me
]
[已完结]
分析价带顶导带底的能带
(9/2116)
lufly89
2012-06-16
2012-06-18 16:54:21
by
lufly89
[
Vasp&Me
]
[已完结]
VASP计算cl-NEB出错,还请虫友们帮忙解决
(1/497)
lijuanshu
2012-06-17
2012-06-18 11:06:00
by
xiongb123456
[
Vasp&Me
]
[已完结]
vasp求助
(0/168)
fjfuzhou
2012-06-18
2012-06-18 10:47:30
by
fjfuzhou
[
Vasp&Me
]
[已完结]
vasp5.2.2计算大体系出错
(9/2370)
liliangfang
2012-06-10
2012-06-17 22:48:03
by
souledge
[
Vasp&Me
]
[已完结]
vaspVTST安装出现这样的错误,是什么原因
(9/2567)
sunxuancheng
2012-03-17
2012-06-17 18:50:17
by
qphll
[
Vasp&Me
]
[已完结]
[关贴]
求助VASP5.2.11软件
(
1
2
)
(11/1468)
花无刺
2012-06-15
2012-06-16 22:44:07
by
花无刺
[
Vasp&Me
]
neb 收敛精度
(7/1901)
egogg
2012-06-11
2012-06-16 12:21:35
by
egogg
[
Vasp&Me
]
掺杂 E-V曲线
(3/511)
fjfuzhou
2012-06-15
2012-06-16 12:18:35
by
fangyongxinxi
[
Vasp&Me
]
关于电场的影响(2)
(8/1446)
cavediger
2012-06-06
2012-06-15 21:28:00
by
cavediger
[
Vasp&Me
]
[已完结]
弹性常数计算中用原包体积还是晶包体积?
(9/2418)
yxz476440843
2012-06-09
2012-06-15 20:24:32
by
mousekingadv
[
Vasp&Me
]
[已完结]
GGA
(1/632)
fjfuzhou
2012-06-15
2012-06-15 20:13:20
by
mousekingadv
[
Vasp&Me
]
关于NEB计算的基本问题
(7/1348)
kmw.8668
2011-12-05
2012-06-15 18:16:13
by
xmr0125
[
Vasp&Me
]
[已完结]
求AlN计算弹性常数的INCAR, OLDPOS, KPOINTS, defvector.f,optimize脚本文件
(2/1112)
洋洋1984
2012-05-29
2012-06-15 17:00:14
by
洋洋1984
[
Vasp&Me
]
【转帖】用VASP计算氢分子的能量
(8/6971)
zdhlover
2009-06-26
2012-06-15 16:46:57
by
xx4751
[
Vasp&Me
]
分享一篇最新的VASP计算文献
(5/983)
9789074
2012-06-13
2012-06-15 09:35:51
by
kmw.8668
[
Vasp&Me
]
[已完结]
赝势的读取
(2/392)
xiaoluoj
2012-06-13
2012-06-15 08:34:57
by
mousekingadv
[
Vasp&Me
]
[已完结]
求助
(1/208)
fjfuzhou
2012-06-12
2012-06-15 00:07:55
by
huangguiyang
[
Vasp&Me
]
[已完结]
VASP中mag是什么
(0/1407)
xiaoluoj
2012-06-14
2012-06-14 21:44:17
by
xiaoluoj
[
Vasp&Me
]
[已完结]
DFT-D2修正是什么意思
(3/1880)
困龙
2012-06-12
2012-06-14 11:01:59
by
困龙
[
Vasp&Me
]
[已完结]
split_dos分割以后,如何找到对应的原子?
(
1
2
)
(11/1739)
liufeila
2012-06-13
2012-06-14 11:01:46
by
liufeila
[
Vasp&Me
]
[已完结]
isosurface取多少合适
(1/443)
xiaoboy185
2012-06-12
2012-06-13 15:06:01
by
xiaoboy185
[
Vasp&Me
]
[已完结]
vasp计算弹性常数时 体系的选取
(0/633)
rex881026
2012-06-13
2012-06-13 14:03:13
by
rex881026
11436
91/115
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