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[
热点
]
奇怪,两个人的filecode固定段从头到尾一模一样
布布和一二
2026-08-15
刚刚
[
Vasp&Me
]
[已完结]
总能VS纳米线长度,为什么是台阶状的?
(5/1172)
Gina88
2012-02-07
2012-02-10 13:12:45
by
贺仪
[
Vasp&Me
]
[已完结]
施压结构优化问题
(2/329)
mazuju028
2012-01-11
2012-02-10 09:09:41
by
sunyang1988
[
Vasp&Me
]
[已完结]
请教有关一篇文献的问题
(2/465)
stewart1922
2012-02-03
2012-02-04 14:29:41
by
stewart1922
[
Vasp&Me
]
算表面吸附的ISMEAR和EDIFFG
(1/412)
fengangelo
2012-02-03
2012-02-04 13:14:59
by
uuv2010
[
Vasp&Me
]
[已完结]
分波态密度如何画?
(4/2011)
fly_elephan
2011-10-26
2012-02-02 08:47:37
by
liu_gang
[
Vasp&Me
]
请问VASP5.2的POTCAR还需要按照POSCAR的原子顺序来么?
(评阅-42)
(5/2522)
vodka
2011-08-05
2012-02-02 06:07:28
by
csuboyle
[
Vasp&Me
]
[已完结]
想算电荷密度,问些问题
(4/942)
fengangelo
2012-01-30
2012-01-31 20:47:19
by
fengangelo
[
Vasp&Me
]
[已完结]
求助
(6/2219)
bjmaowei25
2012-01-27
2012-01-31 11:23:26
by
bjmaowei25
[
Vasp&Me
]
精华
I
:
【原创】用GaussView可视化VASP的结构优化过程
(26/7352)
neweroica
2010-01-13
2012-01-29 18:39:23
by
独唱团
[
Vasp&Me
]
[已完结]
请教一下用VASP计算振动频率的问题
(2/1112)
fengyuzhi
2012-01-21
2012-01-28 20:59:23
by
dxcharlary
[
Vasp&Me
]
[已完结]
ERROR: the following files does not exist POSCAR
(
1
2
)
(14/2893)
bjmaowei25
2012-01-13
2012-01-27 15:52:07
by
enola
[
Vasp&Me
]
[已完结]
neb运行出错
(2/393)
lhyhover
2012-01-27
2012-01-27 01:35:19
by
longwave
[
Vasp&Me
]
[已完结]
VASP输入文件
(0/377)
csuboyle
2012-01-25
2012-01-25 18:45:41
by
csuboyle
[
Vasp&Me
]
[已完结]
关于vaspkit
(2/2365)
xiaoboy185
2012-01-18
2012-01-24 17:41:49
by
灯塔守望者
[
Vasp&Me
]
[已完结]
费米能级下0.5eV内的电荷密度图
(4/1579)
chiqiong
2012-01-10
2012-01-24 00:09:46
by
souledge
[
Vasp&Me
]
[已完结]
vasp优化
(2/636)
xiaoboy185
2012-01-22
2012-01-23 12:59:32
by
Joannaouc
[
Vasp&Me
]
[已完结]
请问大家 谁有最新的关于介绍graphene 和GNR的review?发个链接就可以 多谢了
(1/512)
stewart1922
2012-01-17
2012-01-17 18:32:32
by
valenhou001
[
Vasp&Me
]
[已完结]
CNEB收敛到0.05后,提高精度不收敛
(2/758)
cenwanglai
2011-09-27
2012-01-16 12:46:20
by
cenwanglai
[
Vasp&Me
]
[已完结]
ENCUT and KPOINTS problems
(4/674)
xx2008
2012-01-12
2012-01-16 12:17:03
by
hookah
[
Vasp&Me
]
[已完结]
求vasp计算流程图
(2/2247)
uuv2010
2012-01-14
2012-01-14 17:42:03
by
uuv2010
[
Vasp&Me
]
[已完结]
vasp分子动力学NVE
(4/3036)
egogg
2012-01-11
2012-01-13 12:32:51
by
cenwanglai
[
Vasp&Me
]
【求助】vasp错误,求助
(19/2767)
qian8505
2010-12-21
2012-01-13 12:28:01
by
wenchenai
[
Vasp&Me
]
[已完结]
总能增1eV,需要外加多大的电场?
(6/1887)
cyxlcd
2012-01-06
2012-01-12 21:04:42
by
cyxlcd
[
Vasp&Me
]
[已完结]
求助:如何快速画出能带图
(2/1969)
虎乙红霉素片
2011-12-09
2012-01-12 13:44:34
by
uuv2010
[
Vasp&Me
]
[已完结]
陶瓷材料弹性系数的测量方法和仪器
(0/252)
wq85384924
2012-01-12
2012-01-12 13:11:11
by
wq85384924
[
Vasp&Me
]
[已完结]
[关贴]
【求助成功】本人新手,求助一个计算实例问题,谢谢
(3/1974)
stephenew
2012-01-10
2012-01-12 09:54:13
by
stephenew
[
Vasp&Me
]
[已完结]
请问,某条能带上的载流子浓度应该怎么计算啊?
(1/1162)
Gina88
2012-01-11
2012-01-12 08:59:05
by
lbing9002
[
Vasp&Me
]
[已完结]
画能带时遇到奇怪的问题---帮忙看下吧
(
1
2
)
(14/2395)
wydzyx2003
2012-01-05
2012-01-12 08:54:11
by
laplacetalor
[
Vasp&Me
]
[已完结]
关于BRIONS problems的问题
(3/2156)
tangtiecheng
2011-12-27
2012-01-11 17:33:13
by
gougou531
[
Vasp&Me
]
[已完结]
计算报错了, 如何终止,删除这个任务?
(9/5579)
fengangelo
2012-01-10
2012-01-11 13:30:17
by
Joannaouc
[
Vasp&Me
]
[已完结]
pbs脚本可否提交新的pbs脚本任务?
(5/1874)
tider
2012-01-09
2012-01-11 08:41:15
by
贺仪
[
Vasp&Me
]
固体理论里的APW(缀加平面波方法)和vasp里的PAW方法是什么关系呢?
(9/3396)
lbing9002
2012-01-09
2012-01-11 08:32:12
by
lihb734
[
Vasp&Me
]
[已完结]
如果计算单个Al3+离子的能量
(0/441)
phys
2012-01-10
2012-01-10 18:32:58
by
phys
[
Vasp&Me
]
[已完结]
截止能
(2/635)
chengliping
2011-12-30
2012-01-10 12:52:12
by
chengliping
[
Vasp&Me
]
[已完结]
1*1*1和2*2*2结果不一样
(评阅-4)
(5/1312)
qianbj2006
2012-01-09
2012-01-10 12:11:48
by
identation
[
Vasp&Me
]
[已完结]
装VASP中遇到的问题
(2/472)
xmr0125
2011-11-03
2012-01-10 09:19:43
by
xmr0125
[
Vasp&Me
]
[已完结]
vasp跨节点运行出错,mpiexec_node-1 (handle_stdin_input 1089)
(5/3657)
04nylxb
2012-01-08
2012-01-09 22:21:18
by
uuv2010
[
Vasp&Me
]
[已完结]
[关贴]
(求助完成)vasp总能VS长度图,问题出在哪里啊?
(5/1076)
Gina88
2011-12-23
2012-01-09 08:07:29
by
bingmou
[
Vasp&Me
]
一本讲DFT 的书,例子都是用VASP算的,如有重复请见谅
(
1
2
)
(12/3085)
huangll99
2012-01-06
2012-01-08 08:25:26
by
fangyongxinxi
[
Vasp&Me
]
[已完结]
vasp自洽得到的波函数文件WAVECAR的后处理
(2/900)
ljzhou86
2012-01-07
2012-01-07 18:58:41
by
fzx2008
[
Vasp&Me
]
H2O的计算
(3/1504)
kmw.8668
2012-01-05
2012-01-07 15:24:43
by
kmw.8668
[
Vasp&Me
]
【求助】计算ZnO时。O原子赝势有好多,应该怎么取呢
(4/774)
tider
2011-04-09
2012-01-06 15:58:17
by
sunyulong
[
Vasp&Me
]
怎么查看电荷有序态?
(0/521)
nkleof
2012-01-05
2012-01-05 20:21:37
by
nkleof
[
Vasp&Me
]
【求助】vasp计算簇模型态密度问题
(5/1634)
intro987
2011-03-23
2012-01-05 17:40:06
by
huangll99
[
Vasp&Me
]
[已完结]
反铁磁
(5/1862)
hexiujie
2012-01-03
2012-01-05 14:05:02
by
hexiujie
[
Vasp&Me
]
[已完结]
关于态密度和自旋电荷密度的设置
(2/1324)
guodonglin
2011-12-02
2012-01-05 12:33:05
by
guodonglin
[
Vasp&Me
]
[已完结]
VASP计算磁性金属
(4/1900)
gtssongchi
2011-12-13
2012-01-05 08:52:26
by
gtssongchi
[
Vasp&Me
]
negative-U
(3/1203)
轻轻飘过之
2012-01-03
2012-01-04 18:02:22
by
轻轻飘过之
[
Vasp&Me
]
[已完结]
关于用vasp优化一维纳米带几何结构和计算能带时的磁性不一致的问题
(0/412)
stewart1922
2012-01-03
2012-01-03 20:42:13
by
stewart1922
[
Vasp&Me
]
[已完结]
Mo3+
(0/273)
hadone
2012-01-03
2012-01-03 15:01:20
by
hadone
[
Vasp&Me
]
[已完结]
原子磁矩哪里找呢
(1/478)
xiaoxiao136
2011-12-28
2012-01-02 16:42:33
by
fanarsenal
[
Vasp&Me
]
[已完结]
关于vasp计算自旋轨道耦合的问题
(4/2352)
likai0106
2011-10-21
2012-01-02 11:07:23
by
zhang668
[
Vasp&Me
]
[已完结]
【求助成功】请教GW方法计算能带结构的几个问题?
(
1
2
)
(11/1792)
liddrr
2011-10-11
2012-01-01 17:33:05
by
liddrr
[
Vasp&Me
]
[已完结]
计算电脑配置,帮忙看看
(
1
2
)
(12/1996)
shelay
2011-12-30
2012-01-01 09:27:33
by
aaq2800
[
Vasp&Me
]
【求助】差分电荷密度分析
(7/2640)
wanglei200
2011-03-01
2011-12-31 20:00:29
by
rainywrn
[
Vasp&Me
]
【求助】紧急求教读取CHGCAR的matlab脚本,谢谢
(2/1026)
雁儿霏霏
2011-01-15
2011-12-30 22:59:32
by
09njtpw
[
Vasp&Me
]
[已完结]
VESTA的颜色条如何编辑
(0/1364)
tt-0-8
2011-12-30
2011-12-30 22:51:37
by
tt-0-8
[
Vasp&Me
]
vasp运算过程中无报错断开,急求助!
(5/1607)
dwd0826
2011-12-29
2011-12-30 21:48:32
by
llh2010
[
Vasp&Me
]
[已完结]
紧急求助vasp5.2 计算氧化铈表面吸附遇到的若干问题
(4/2502)
流浪猫8386
2011-12-28
2011-12-30 19:09:55
by
zhuzisummer
[
Vasp&Me
]
[已完结]
用vasp计算Ca2IrH6时出现的问题
(8/1121)
zsl_321123
2011-12-28
2011-12-29 15:29:34
by
zsl_321123
[
Vasp&Me
]
[已完结]
hybrid(PBE0) INCAR设置 POTCAR设置
(评阅+2)
(3/2280)
guoshukuan
2011-12-27
2011-12-29 11:20:20
by
guoshukuan
[
Vasp&Me
]
[已完结]
超晶胞 计算
(4/769)
chengliping
2011-12-28
2011-12-29 08:23:15
by
chengliping
[
Vasp&Me
]
提取VASP的波函数,画出按角动量着色的绚丽能带结构
(评阅+2)
(8/3512)
cenwanglai
2011-12-28
2011-12-29 00:01:07
by
NKDMS
[
Vasp&Me
]
[已完结]
VASP能带计算中高对称点设置的问题
(1/1671)
nicolemikeyi
2011-12-27
2011-12-27 16:39:07
by
fzx2008
[
Vasp&Me
]
[已完结]
请教VESTA里面能否像MS一样吸附金属以CPK显示吸附小分子用球棍模型显示?
(7/3061)
04nylxb
2011-11-17
2011-12-27 14:59:59
by
gougou531
[
Vasp&Me
]
[已完结]
vesta显示后,和一个Si原子相连的键居然可以有5个?
(2/1328)
Gina88
2011-08-18
2011-12-27 14:52:41
by
gougou531
[
Vasp&Me
]
【求助】离子步迭代118步才收敛是否正常?
(8/3044)
calos818
2010-09-18
2011-12-26 16:41:57
by
fzx2008
[
Vasp&Me
]
[已完结]
[关贴]
求助vasp中的自旋轨道耦合
(3/2902)
fzx2008
2011-12-01
2011-12-26 15:21:07
by
fzx2008
[
Vasp&Me
]
[已完结]
分波态密度的计算问题?
(3/1343)
mazuju028
2011-12-25
2011-12-26 15:09:36
by
iamikaruk
[
Vasp&Me
]
[已完结]
vasp5.2 优化vasp4.6 优化过的结构不收敛
(5/1759)
gaojunfeng83
2011-08-24
2011-12-25 16:46:55
by
guoshukuan
[
Vasp&Me
]
缺陷形成能图的讨论
(1/671)
轻轻飘过之
2011-12-24
2011-12-24 20:02:04
by
轻轻飘过之
[
Vasp&Me
]
[已完结]
紧急求助关于磁性的问题
(1/304)
viebn
2011-12-23
2011-12-23 20:02:00
by
viebn
[
Vasp&Me
]
[已完结]
关于静态自洽,为什么朋友们都不用弛豫的来的WAVECAR、 CHGCAR呢?
(2/833)
dyc_2008
2011-12-23
2011-12-23 15:31:53
by
cenwanglai
[
Vasp&Me
]
[已完结]
急求vasp完整赝势文件库
(1/725)
maomao-666
2011-12-22
2011-12-22 17:03:58
by
liliangfang
[
Vasp&Me
]
[已完结]
低自旋多重度对应体系能量更低
(5/1671)
zhoudayan2
2011-12-19
2011-12-21 19:21:14
by
mengfc
[
Vasp&Me
]
[已完结]
一百多个原子,用GW或HSE算带隙需要什么样的配置?
(3/1542)
mazuju028
2011-12-20
2011-12-21 18:47:38
by
windring
[
Vasp&Me
]
计算含缺陷晶胞时的ISIF的设置问题
(4/2222)
轻轻飘过之
2011-12-20
2011-12-21 09:57:50
by
轻轻飘过之
[
Vasp&Me
]
[已完结]
[关贴]
差分电荷密度作图
(1/779)
guitar2033
2011-12-20
2011-12-20 22:52:52
by
fzx2008
[
Vasp&Me
]
[已完结]
关于Reverse Monte Carlo
(7/1816)
xiaoboy185
2011-12-08
2011-12-20 17:58:51
by
yorckzhang
[
Vasp&Me
]
[已完结]
八面体畸变后的空间群
(4/1510)
hadone
2011-12-19
2011-12-20 13:05:32
by
songfoo
[
Vasp&Me
]
[已完结]
Vasp4.6安装相关的数据库可以升级吗
(1/307)
longchang
2011-12-20
2011-12-20 11:09:17
by
liliangfang
[
Vasp&Me
]
[已完结]
如何计算电子转移?
(1/1121)
fly_elephan
2011-12-19
2011-12-19 15:48:50
by
jiewei
[
Vasp&Me
]
[已完结]
掺杂位置和MAGMOM问题
(0/644)
llg1987
2011-12-19
2011-12-19 14:41:46
by
llg1987
[
Vasp&Me
]
[已完结]
为什么优化之后CONTCAR中少一个原子
(4/1485)
xx2008
2011-12-18
2011-12-19 08:16:26
by
xx2008
[
Vasp&Me
]
[已完结]
vasp OUTCAR中的费米能级是哪个?
(2/5825)
lascqy
2011-12-14
2011-12-17 21:28:36
by
ffzx
[
Vasp&Me
]
[已完结]
Ni(111) (2×2)-2H是什么意思?
(2/492)
thelrgbird
2011-12-16
2011-12-16 17:06:58
by
thelrgbird
[
Vasp&Me
]
[已完结]
包含自旋的GGA+U的能带计算流程问题
(2/1168)
mazuju028
2011-12-16
2011-12-16 16:49:17
by
buct2010
[
Vasp&Me
]
[已完结]
结构优化参数设置
(6/1797)
xiaoboy185
2011-12-15
2011-12-16 16:26:16
by
xiaoboy185
[
Vasp&Me
]
[已完结]
SIGMA的单位是什么
(7/3865)
ustbwgs
2011-05-31
2011-12-16 16:11:35
by
lascqy
[
Vasp&Me
]
[已完结]
Vasp&MedeA软件的学习教程
(0/1370)
mengchouchou
2011-12-16
2011-12-16 15:49:03
by
mengchouchou
[
Vasp&Me
]
[已完结]
NEB方法找过渡态时,有多个原子移动,可以么
(1/832)
jiehade123
2011-12-16
2011-12-16 14:52:20
by
贺仪
[
Vasp&Me
]
[已完结]
求过渡金属氧化物中O2p +U修正参数
(1/485)
cenwanglai
2011-12-16
2011-12-16 14:41:54
by
贺仪
[
Vasp&Me
]
[已完结]
vasp 杂化泛函HSE 它怎么就不run涅?
(
1
2
)
(12/5172)
songbone
2011-12-14
2011-12-16 12:41:11
by
liliangfang
[
Vasp&Me
]
[已完结]
使用VASP怎么计算超胞每层所受的应力?
(0/437)
zhanganping
2011-12-16
2011-12-16 10:31:30
by
zhanganping
[
Vasp&Me
]
[已完结]
VASP计算缺陷形成能是否还要对帯隙进行修正?
(5/3069)
轻轻飘过之
2011-12-15
2011-12-16 09:54:25
by
轻轻飘过之
[
Vasp&Me
]
[已完结]
请问下高温熔化状态和淬火过程分别应该选择什么样的系综
(0/378)
正月圆月
2011-12-16
2011-12-16 09:17:13
by
正月圆月
[
Vasp&Me
]
Vasp参数不解
(9/1034)
dwd0826
2011-12-15
2011-12-16 08:24:40
by
future_wl
[
Vasp&Me
]
[已完结]
能隙的计算
(1/561)
轻轻飘过之
2011-12-15
2011-12-15 22:55:03
by
uuv2010
[
Vasp&Me
]
[已完结]
新手请教用NEB方法计算energy barrier.
(
1
2
)
(15/3799)
gaofenglili
2011-12-09
2011-12-15 22:09:40
by
wyf198166
[
Vasp&Me
]
同一结构,vasp和castep计算band structure,结果是相同的还是不同的?
(7/2200)
spatial
2011-12-12
2011-12-15 19:45:53
by
liuhuimeiwoo
11441
97/115
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