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[
热点
]
免疫学博士有名额,速联系
VaccineDPI
2026-02-02
刚刚
[
Vasp&Me
]
[已完结]
三个轴不等的情况怎么优化晶格常熟
(2/410)
lyylyy1
2013-01-12
2013-01-13 00:34:08
by
gavinliu7390
[
Vasp&Me
]
[已完结]
LDOS
(4/2083)
liuqun
2012-06-27
2013-01-12 17:13:29
by
yuraining
[
Vasp&Me
]
FUKUI 函数和BADER电荷的联系?
(3/1219)
liufeila
2013-01-10
2013-01-12 08:51:54
by
lihb734
[
Vasp&Me
]
[已完结]
vasp 5.2 install 有errors和makefile 和 ifort mpich 运行情况
(1/842)
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
(0/642)
anewtry
2013-01-11
2013-01-11 20:55:42
by
anewtry
[
Vasp&Me
]
[已完结]
GdN能带结构的计算讨论
(0/204)
gougou531
2013-01-11
2013-01-11 10:25:49
by
gougou531
[
Vasp&Me
]
[已完结]
bader分析文献求助
(2/398)
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
(3/1025)
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
(6/583)
lyylyy1
2013-01-08
2013-01-11 09:44:56
by
digghost
[
Vasp&Me
]
【求助】LDA+U优化问题
(
1
2
)
(10/2603)
LR198612
2010-11-05
2013-01-11 08:04:42
by
paopaotu326
[
Vasp&Me
]
[已完结]
有关LDA+U参数设置问题!
(
1
2
)
(14/3409)
haowenping
2012-03-12
2013-01-11 07:46:46
by
paopaotu326
[
Vasp&Me
]
【求助】ZBRENT给出的是什么信息?
(2/2364)
keitapsp
2010-04-28
2013-01-10 20:59:19
by
yuraining
[
Vasp&Me
]
[已完结]
p4v可视化问题
(6/945)
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?
(6/2505)
mazuju028
2012-03-20
2013-01-10 07:01:51
by
呜呜哗啦
[
Vasp&Me
]
自旋极化和自旋非极化
(2/1030)
kobe6777
2013-01-09
2013-01-09 23:06:23
by
kobe6777
[
Vasp&Me
]
[已完结]
ENCUT测试
(
1
2
)
(12/2378)
xiaoluoj
2013-01-09
2013-01-09 22:04:28
by
emilyoyang
[
Vasp&Me
]
[已完结]
用VASP+phonopy算声子时如何设hexagonal下的超胞
(1/419)
刘仕晨
2012-12-26
2013-01-09 11:27:41
by
刘仕晨
[
Vasp&Me
]
笛卡尔坐标如何转换为Direct坐标?
(5/2378)
呜呜哗啦
2013-01-08
2013-01-08 15:57:27
by
呜呜哗啦
[
Vasp&Me
]
笛卡尔坐标优化完之后变成了direct坐标,为什么?
(2/624)
呜呜哗啦
2013-01-08
2013-01-08 15:55:58
by
呜呜哗啦
[
Vasp&Me
]
[已完结]
BaTiO3 GGA/LDA+U U=?
(1/520)
tuhaidan
2013-01-07
2013-01-08 11:45:18
by
VASP2010
[
Vasp&Me
]
VASP计算的石墨烯态密度,费米能设为0,发现费米能处的态密度值不为0
(5/2106)
mitong
2013-01-07
2013-01-07 21:19:01
by
mitong
[
Vasp&Me
]
[已完结]
几种原子组成的体系怎么选择赝势
(0/344)
707462558
2013-01-07
2013-01-07 16:36:52
by
707462558
[
Vasp&Me
]
[已完结]
做结构优化和做静态计算能量不一致
(7/1857)
thelrgbird
2012-07-31
2013-01-07 13:07:24
by
sunflower_12
[
Vasp&Me
]
[已完结]
VASP中LDA+U确定U值时,Uout从哪里读出来?
(2/944)
paopaotu326
2012-12-30
2013-01-06 07:58:55
by
paopaotu326
[
Vasp&Me
]
[已完结]
properties 计算
(7/2448)
yoyo103108
2011-12-13
2013-01-06 06:00:55
by
xwangan
[
Vasp&Me
]
[已完结]
为什么在计算berry phase的时候OUTCAR里面没有<R>bp项?
(0/436)
yayanoba
2013-01-05
2013-01-05 21:24:05
by
yayanoba
[
Vasp&Me
]
[已完结]
请问POSCAR中的坐标系是什么意思
(6/2025)
kaixnjb
2012-12-18
2013-01-05 12:08:06
by
旭旭宝宝
[
Vasp&Me
]
[已完结]
能带计算时无法设置NBANDS,各位大侠帮忙看一下!
(7/2774)
liancsh
2012-02-12
2013-01-05 09:25:49
by
旭旭宝宝
[
Vasp&Me
]
[已完结]
vasp中k点为1的点
(1/503)
楚笑笑生
2013-01-01
2013-01-04 19:37:27
by
yuraining
[
Vasp&Me
]
[已完结]
berry phase 电极化值 偏小 如何增大?
(7/857)
tuhaidan
2012-08-02
2013-01-04 19:31:25
by
阚敏
[
Vasp&Me
]
[已完结]
关于DOS对金属性影响判断的
(1/893)
thelrgbird
2013-01-03
2013-01-03 13:41:38
by
sunshoutian168
[
Vasp&Me
]
[已完结]
encut 测试结果怎么取
(7/1561)
707462558
2013-01-02
2013-01-03 12:07:42
by
bill686433
[
Vasp&Me
]
[已完结]
vasp 计算单分子/原子 时晶胞大小的选取
(6/2939)
rustboy
2012-12-30
2013-01-03 10:36:48
by
hn19870519
[
Vasp&Me
]
[已完结]
求vasp并行时效率怎么检测?
(3/924)
lzlgcdc
2013-01-01
2013-01-01 10:26:19
by
lzlgcdc
[
Vasp&Me
]
[已完结]
截断能的选择
(5/2717)
707462558
2012-12-31
2012-12-31 18:28:30
by
emilyoyang
[
Vasp&Me
]
[已完结]
【求助】SIGMA测试的收敛判据啊
(0/479)
hythen
2012-12-31
2012-12-31 17:19:23
by
hythen
[
Vasp&Me
]
[已完结]
大侠们~本人编译vasp.5.lib过程中遇到如下错误 敢问何解?不胜感激~
(7/1792)
苦逼牛逼
2012-12-29
2012-12-31 15:37:39
by
苦逼牛逼
[
Vasp&Me
]
[已完结]
VASP5.2编译出错求助 恳请指点!不胜感激~
(2/661)
苦逼牛逼
2012-12-30
2012-12-31 11:14:41
by
苦逼牛逼
[
Vasp&Me
]
[已完结]
vasp 如何计算F负离子能量
(0/851)
dfjk-123
2012-12-31
2012-12-31 11:13:05
by
dfjk-123
[
Vasp&Me
]
[已完结]
如何在模拟薄膜的时候加真空层
(4/1596)
sagiterszk
2012-06-22
2012-12-31 08:45:55
by
楚笑笑生
[
Vasp&Me
]
[已完结]
vasp脚本运行问题
(7/1945)
huangll99
2012-02-26
2012-12-31 06:02:53
by
豆豆王王
[
Vasp&Me
]
关于vasp中ISMEAR参数的几个问题
(6/2467)
dwd0826
2011-12-17
2012-12-29 18:29:50
by
dwd0826
[
Vasp&Me
]
[已完结]
VASP优化石墨烯时Ismear设置为0可以吗
(5/2418)
mitong
2012-12-21
2012-12-29 08:29:48
by
171713294
[
Vasp&Me
]
急求解决-计算Fe的cohesive energy
(3/1157)
dwd0826
2012-04-19
2012-12-29 07:33:23
by
liuzhun168
[
Vasp&Me
]
计算Fe的超晶胞晶格常数与能量
(4/1445)
dwd0826
2011-12-26
2012-12-29 07:31:43
by
lxbcsrc
[
Vasp&Me
]
[已完结]
能带和态密度问题
(3/729)
lzlgcdc
2012-12-28
2012-12-28 22:56:15
by
lzlgcdc
[
Vasp&Me
]
[已完结]
只有选取USPP才能使用split_dos对态密度文件进行分割吗?
(0/290)
wl7171759
2012-12-26
2012-12-28 15:01:54
by
wl7171759
[
Vasp&Me
]
[已完结]
畴结构怎么画
(0/669)
anewtry
2012-12-27
2012-12-27 19:49:55
by
anewtry
[
Vasp&Me
]
NEB计算中断,想要接着算该怎么办?
(7/1266)
lijuanshu
2012-12-25
2012-12-27 19:17:26
by
lijuanshu
[
Vasp&Me
]
[已完结]
关于BTO的双势井曲线,请问的我的计算方法是否有误?
(8/1093)
leonidasn
2012-12-14
2012-12-27 16:09:28
by
iamikaruk
[
Vasp&Me
]
[已完结]
金属催化剂的,vasp貌似收敛不了
(4/734)
rainyxiao
2012-12-22
2012-12-27 15:05:56
by
kobe6777
[
Vasp&Me
]
[已完结]
vasp 计算能带问题
(5/1332)
xiehui0608
2012-12-21
2012-12-27 15:02:35
by
kobe6777
[
Vasp&Me
]
[已完结]
VAPS费米能级
(4/1067)
liuqun
2012-12-25
2012-12-27 10:45:21
by
solarman
[
Vasp&Me
]
[已完结]
KPOINTS和OUTCAR中有些不符 请教各位
(2/322)
lzlgcdc
2012-12-26
2012-12-27 10:44:46
by
lzlgcdc
[
Vasp&Me
]
[已完结]
请教一下周期性结构中K—S方程是怎么建立起来的?
(1/185)
physicistwp
2012-12-27
2012-12-27 10:34:09
by
physicistwp
[
Vasp&Me
]
[已完结]
vasp画能带问题 求教各位
(4/1159)
lzlgcdc
2012-12-25
2012-12-26 19:30:47
by
lzlgcdc
[
Vasp&Me
]
[已完结]
Grimme的DFT-D2方法中,只列出了周期表前五行元素的C和R的值,其他元素的值怎么算呢?
(2/1028)
rainxin2008
2012-12-21
2012-12-26 16:22:11
by
rainxin2008
[
Vasp&Me
]
[已完结]
电荷密度作图 vasp
(
1
2
)
(13/1379)
lzlgcdc
2012-12-24
2012-12-26 15:50:32
by
lzlgcdc
[
Vasp&Me
]
用VASP计算NEB都十几天了还不收敛,急啊!!!
(8/4822)
lijuanshu
2012-12-24
2012-12-26 11:46:39
by
04nylxb
[
Vasp&Me
]
最新的 p4vasp for windows 0.3.20 已经发布
(21/4930)
njuswj
2011-11-23
2012-12-25 21:01:54
by
cumtzl
[
Vasp&Me
]
[已完结]
求大神赐势文件!
(0/460)
meiwei1988
2012-12-25
2012-12-25 18:36:09
by
meiwei1988
[
Vasp&Me
]
[已完结]
如何提高sqs的速度
(0/752)
呜呜哗啦
2012-12-25
2012-12-25 15:49:37
by
呜呜哗啦
[
Vasp&Me
]
请教声子谱的计算
(13/1465)
轻轻飘过之
2012-09-19
2012-12-25 14:08:06
by
刘仕晨
[
Vasp&Me
]
[已完结]
vasp做neb异常退出
(1/924)
tzyioo
2012-12-24
2012-12-25 11:00:53
by
tzyioo
[
Vasp&Me
]
[已完结]
vasp能算团簇的极化率吗
(0/226)
ikea1984
2012-12-25
2012-12-25 09:35:20
by
ikea1984
[
Vasp&Me
]
[已完结]
能带问题 DOS问题 请各位大侠帮我看看
(9/1309)
lzlgcdc
2012-12-23
2012-12-25 00:06:15
by
lzlgcdc
[
Vasp&Me
]
[已完结]
关于CONTCAR和OUTCAR
(0/318)
yinhanqing
2012-12-24
2012-12-24 20:56:42
by
yinhanqing
[
Vasp&Me
]
[已完结]
界面的晶格常数
(3/542)
fengnan127
2012-12-23
2012-12-24 19:07:56
by
fengnan127
[
Vasp&Me
]
[已完结]
求推荐计算表面缺陷形成能的文献
(1/372)
physiclin
2012-12-24
2012-12-24 14:12:45
by
wydzyx2003
[
Vasp&Me
]
(文献学习)一篇计算HfO2表面 结构与原子性质的文章
(评阅+5)
(26/4475)
huangll99
2012-04-30
2012-12-24 08:01:17
by
yylhoodma
[
Vasp&Me
]
[已完结]
请问phonopy在设超胞的时候怎么修复六角晶系的对称性
(4/945)
xcid
2012-12-21
2012-12-23 20:37:01
by
fanarsenal
[
Vasp&Me
]
【求助】超胞的原子怎么数
(
1
2
)
(13/1882)
bluegirlll
2010-12-27
2012-12-22 21:58:34
by
刘仕晨
[
Vasp&Me
]
[已完结]
vasp5.2怎么提交作业啊,新手
(4/1737)
赵聪怡
2012-12-18
2012-12-21 10:59:00
by
赵聪怡
[
Vasp&Me
]
[已完结]
判断杂质引入的能带
(5/948)
Illusionist
2012-12-19
2012-12-21 08:29:11
by
Illusionist
[
Vasp&Me
]
[已完结]
P4VASP使用export没反应
(2/1226)
lzlgcdc
2012-12-19
2012-12-20 11:20:53
by
lzlgcdc
[
Vasp&Me
]
投稿到PRAMANA杂志9天了,状态还是New是怎么回事
(2/594)
梦里花
2012-10-20
2012-12-20 10:59:34
by
jiall
[
Vasp&Me
]
[已完结]
用SQS建模的文章中表格是如何得到的
(4/1257)
呜呜哗啦
2012-12-19
2012-12-20 10:31:09
by
呜呜哗啦
[
Vasp&Me
]
[已完结]
关于VASP能带计算中K点路径设置
(3/3032)
kugou521
2012-12-06
2012-12-19 23:08:14
by
fzx2008
[
Vasp&Me
]
VASP在光催化中的应用之光电流
(10/2630)
panhaijun
2012-12-11
2012-12-19 22:02:59
by
panhaijun
[
Vasp&Me
]
表面计算
(3/265)
hy1987007
2012-12-17
2012-12-19 16:42:47
by
hy1987007
[
Vasp&Me
]
[已完结]
请教各位大侠+U对计算的影响
(
1
2
)
(12/1471)
lzlgcdc
2012-12-17
2012-12-19 12:35:57
by
lzlgcdc
[
Vasp&Me
]
[已完结]
作出的能带图k点数目与KPOINTS不符,请问怎么回事?
(6/911)
学员Wh9wTw
2012-10-29
2012-12-19 11:40:51
by
707462558
[
Vasp&Me
]
[已完结]
lev00出现锯齿 求助
(0/254)
peng85722
2012-12-19
2012-12-19 09:13:13
by
peng85722
[
Vasp&Me
]
[已完结]
能带图问题求助
(
1
2
)
(13/2136)
yxz476440843
2012-06-04
2012-12-19 08:45:09
by
707462558
[
Vasp&Me
]
[已完结]
VASP计算Fe3O4,FeO,Fe的自旋ISPIN数值如何确定
(0/684)
fengyun4
2012-12-18
2012-12-18 19:13:44
by
fengyun4
[
Vasp&Me
]
vasp计算时内存使用率低,请问是怎么回事儿???
(2/541)
huangpu2009
2012-12-15
2012-12-18 12:38:12
by
huangpu2009
[
Vasp&Me
]
[已完结]
如何用波尔兹曼分布来计算吸附点的概率?急!!
(0/153)
gfunction
2012-12-17
2012-12-17 20:20:31
by
gfunction
[
Vasp&Me
]
【讨论】关于VASP结构优化顺序的问题
(3/1198)
chinagoodnes
2012-12-16
2012-12-17 18:42:56
by
sunflower_12
[
Vasp&Me
]
[已完结]
磷原子与氮原子成键
(1/242)
didadida321
2012-12-17
2012-12-17 14:47:29
by
didadida321
[
Vasp&Me
]
[已完结]
vasp下纳米管怎么构建的,一系列文件什么的都是怎么写的,求助各位了
(
1
2
)
(14/902)
lzlgcdc
2012-11-02
2012-12-16 22:26:13
by
707462558
[
Vasp&Me
]
[已完结]
关于形成能的问题
(4/1530)
llg1987
2011-11-23
2012-12-16 19:09:01
by
silikiwi
[
Vasp&Me
]
[已完结]
vasp 优化纳米管的时候ISIF 到底设为多少啊
(1/444)
707462558
2012-12-13
2012-12-16 16:34:05
by
707462558
[
Vasp&Me
]
[已完结]
求助怎么编译VASP
(1/640)
mxl10000
2012-12-16
2012-12-16 14:59:24
by
xianxianlu
[
Vasp&Me
]
[已完结]
warning DENTET 请大家帮我看看……
(9/2305)
lzlgcdc
2012-12-05
2012-12-15 21:52:23
by
lzlgcdc
[
Vasp&Me
]
[已完结]
NEB计算得到的过渡态能量值异常的低,为什么?请有经验的帮助回答一下
(0/854)
jiehade123
2012-12-15
2012-12-15 21:45:00
by
jiehade123
[
Vasp&Me
]
[已完结]
能带计算时的参数设置
(4/991)
lzlgcdc
2012-12-12
2012-12-15 15:52:30
by
lzlgcdc
[
Vasp&Me
]
[已完结]
如何判断那条能带是杂质引入的?
(7/1207)
Illusionist
2012-12-15
2012-12-15 15:15:05
by
Illusionist
[
Vasp&Me
]
[已完结]
ifort编译optics
(3/898)
fly_elephan
2012-12-14
2012-12-15 14:52:22
by
ice_rain
[
Vasp&Me
]
[已完结]
vasp的OUTCAR文件中spin component 1,2分别指?
(6/1952)
hutudiangong
2012-12-13
2012-12-15 11:21:11
by
hutudiangong
11436
85/115
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