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[
热点
]
国家基金申请书模板内插入图片不可调整大小?
kingkocxr
2026-02-02
刚刚
[
Vasp&Me
]
[已完结]
关于void的问题
(0/95)
w7amxbm4
2012-10-30
2012-10-30 09:33:07
by
w7amxbm4
[
Vasp&Me
]
【求助成功】VASP5.2 编译出现这样的warning,对编译出来的vasp有影响吗?
(5/1492)
tsh8167
2010-10-21
2012-10-29 17:55:51
by
ufo991
[
Vasp&Me
]
[已完结]
vasp安装了 关于怎么用……求指导
(
1
2
)
(12/1394)
lzlgcdc
2012-10-26
2012-10-28 23:28:12
by
lzlgcdc
[
Vasp&Me
]
[已完结]
steep.o问题请教各位大神
(2/886)
saltfishw
2012-10-28
2012-10-28 15:37:20
by
ice_rain
[
Vasp&Me
]
[已完结]
【VASP】 奇怪结果求助
(7/1113)
colinchen2
2012-10-27
2012-10-27 15:39:22
by
colinchen2
[
Vasp&Me
]
【求助成功】murn.f用ifort编译完运行时不能正确执行
(2/1142)
xiaoxiao6726
2011-04-01
2012-10-27 15:27:41
by
bill686433
[
Vasp&Me
]
[已完结]
相结合vasp做一点热力学计算,推荐一下软件。
(0/824)
hs0218
2012-10-27
2012-10-27 14:26:28
by
hs0218
[
Vasp&Me
]
[已完结]
关于VASP 优化晶体结构的问题
(3/1140)
bill686433
2012-10-27
2012-10-27 12:41:31
by
colinchen2
[
Vasp&Me
]
[已完结]
请教一个概念问题,静电势,有效势,化学势以及费米能级的关系
(2/2191)
xiaoboy185
2012-10-23
2012-10-27 12:09:01
by
stractor
[
Vasp&Me
]
基态计算怎么用于常温态
(4/1123)
又见_炊烟
2012-10-24
2012-10-27 08:47:15
by
Lathander
[
Vasp&Me
]
[已完结]
弹性常数的困惑
(7/802)
赵---
2012-10-23
2012-10-26 21:25:17
by
zyren123
[
Vasp&Me
]
[已完结]
fropho 中的命令mode2anime.rb应该怎么使用
(2/197)
fanarsenal
2012-09-10
2012-10-26 17:48:12
by
fanarsenal
[
Vasp&Me
]
[已完结]
怎么用denshkl这个软件截取平面啊?
(2/277)
chenxin1992
2012-10-25
2012-10-26 15:44:04
by
chenxin1992
[
Vasp&Me
]
[已完结]
用phonopy计算声子谱的问题
(
1
2
)
(16/3726)
hhshimin
2011-06-21
2012-10-26 08:14:16
by
liancsh
[
Vasp&Me
]
【求助】vasp体系过大“优化”难以收剑
(7/1506)
ustbwgs
2010-11-13
2012-10-25 17:18:41
by
hs0218
[
Vasp&Me
]
[已完结]
水分子在铜表面的吸附,跟文献结果不一致
(
1
2
)
(10/2071)
gleerat
2012-10-17
2012-10-25 16:09:15
by
gleerat
[
Vasp&Me
]
[已完结]
优化甲烷的输入文件不知道对不对?
(0/285)
kobe6777
2012-10-25
2012-10-25 10:11:41
by
kobe6777
[
Vasp&Me
]
[已完结]
锂离子电池电极材料 电极两相共存时候的插锂电压计算
(2/677)
xiaoboy185
2012-10-24
2012-10-25 07:51:55
by
Lathander
[
Vasp&Me
]
vasp错误
(0/294)
fjfuzhou
2012-10-24
2012-10-24 19:29:00
by
fjfuzhou
[
Vasp&Me
]
[已完结]
VASP新手求问 单机装VASP
(1/407)
wkfan8988
2012-10-24
2012-10-24 10:29:26
by
liliangfang
[
Vasp&Me
]
[已完结]
VASP计算KPOINTS的错误
(2/658)
liwenjing123
2012-10-23
2012-10-23 20:30:14
by
fyuewen
[
Vasp&Me
]
[已完结]
关于锂电池中的氧化还原电对
(2/809)
xiaoboy185
2012-10-23
2012-10-23 17:03:34
by
xiaoboy185
[
Vasp&Me
]
[已完结]
掺杂元素的U值如何确定?
(5/1423)
lascqy
2012-10-19
2012-10-23 12:33:38
by
Lathander
[
Vasp&Me
]
[已完结]
要建一个Ni表面结构,求高人指点!感谢万分!
(0/173)
何必所以
2012-10-22
2012-10-22 21:32:20
by
何必所以
[
Vasp&Me
]
[已完结]
请问自洽计算所得电荷密度减去非自洽所的电荷密度是什么含义啊?
(1/650)
chenxin1992
2012-10-21
2012-10-22 20:48:53
by
chenxin1992
[
Vasp&Me
]
【求助】思考:关于截断能
(
1
2
)
(11/3642)
qiqi2926
2010-07-24
2012-10-22 14:48:27
by
leozpj
[
Vasp&Me
]
[已完结]
vasp能带结构的计算
(0/443)
stclaireva1
2012-10-22
2012-10-22 08:43:05
by
stclaireva1
[
Vasp&Me
]
【求助】VASP进行DFT+HF计算的问题?
(7/2200)
mxiangying
2010-05-14
2012-10-22 08:20:28
by
yylhoodma
[
Vasp&Me
]
[已完结]
make libia32 compiler=gnu 时出现问题 fftw3xf make时的问题
(5/444)
lzlgcdc
2012-10-18
2012-10-20 13:46:07
by
lzlgcdc
[
Vasp&Me
]
vasp计算,charge convergence 是怎么一回事?
(8/1708)
ljzhou86
2012-04-10
2012-10-20 12:40:44
by
Lathander
[
Vasp&Me
]
[已完结]
vasp 分析团簇结构的态密度
(0/735)
gjh123
2012-10-20
2012-10-20 09:41:28
by
gjh123
[
Vasp&Me
]
[已完结]
态密度图分析——峰的高度能不能反映出原子间相互作用的强弱
(7/2732)
星愿9997
2012-10-17
2012-10-19 17:49:43
by
06022043
[
Vasp&Me
]
[已完结]
vasp 结构弛豫 能量出现震荡
(1/1271)
lgxyz
2012-10-19
2012-10-19 09:38:31
by
enola
[
Vasp&Me
]
【讨论】刚学VASP,静态自洽和非自洽?谁能解释下?
(
1
2
)
(13/3034)
calos818
2009-10-22
2012-10-18 20:39:53
by
aibude163
[
Vasp&Me
]
[已完结]
如何用CrystalMaker画晶体图
(1/1554)
chengliping
2012-10-17
2012-10-18 11:10:52
by
416726641
[
Vasp&Me
]
[已完结]
OpenDX的使用......
(4/1614)
冷小漠
2012-10-17
2012-10-18 09:33:14
by
冷小漠
[
Vasp&Me
]
[已完结]
Ni/graphene体系,磁性计算INCAR如何设置
(3/1546)
梦里花
2012-10-15
2012-10-17 21:16:29
by
梦里花
[
Vasp&Me
]
[已完结]
VASP怎么计算掺杂呀,快来看看吧~
(0/1806)
chenhui1873
2012-10-17
2012-10-17 15:52:09
by
chenhui1873
[
Vasp&Me
]
【原创】关于结构优化的总结,体会
(33/8438)
bnliu
2011-01-04
2012-10-17 12:35:51
by
losenq
[
Vasp&Me
]
【求助】vasp算不了吗
(
1
2
3
)
(23/2551)
kgdu
2010-05-12
2012-10-17 07:01:21
by
hs0218
[
Vasp&Me
]
我非自洽算出来的电荷密度很诡异啊
(4/583)
chenxin1992
2012-10-13
2012-10-16 14:53:18
by
043114076
[
Vasp&Me
]
[已完结]
真心不懂 求帮助
(9/1113)
lzlgcdc
2012-10-14
2012-10-16 12:14:06
by
lzlgcdc
[
Vasp&Me
]
【求助】异质结形成不类的原因
(5/1605)
liqun1314
2011-04-01
2012-10-16 11:51:42
by
yulin_ccpp
[
Vasp&Me
]
vasp 走得很慢 帮忙看看INCAR
(4/739)
vasp-newer
2012-10-15
2012-10-16 10:08:24
by
mengfc
[
Vasp&Me
]
[已完结]
vasp如何计算磁性?
(0/724)
真情无价108
2012-10-15
2012-10-15 23:34:55
by
真情无价108
[
Vasp&Me
]
[已完结]
做能带计算eigenval没有需要的内容
(2/741)
hutudiangong
2012-10-14
2012-10-15 21:11:25
by
hutudiangong
[
Vasp&Me
]
[已完结]
lev00安装
(3/553)
zuocuiping
2012-10-13
2012-10-15 19:49:03
by
daxiongmao6
[
Vasp&Me
]
[已完结]
关于fcc高对称点的坐标
(0/1337)
乌洛托品
2012-10-15
2012-10-15 17:24:15
by
乌洛托品
[
Vasp&Me
]
[已完结]
请教“LVTOT”和“LVHAR”的区别
(7/6525)
byin
2012-10-15
2012-10-15 16:10:31
by
byin
[
Vasp&Me
]
[已完结]
能带及态密度问题求助!
(0/320)
xiongb123456
2012-10-15
2012-10-15 10:06:25
by
xiongb123456
[
Vasp&Me
]
[已完结]
如何获得K点?
(1/1114)
xiongb123456
2012-10-14
2012-10-15 09:42:19
by
wangziyan3
[
Vasp&Me
]
【求助】关于金属和绝缘体K点的设置
(5/1183)
sunyang1988
2010-06-29
2012-10-15 08:23:42
by
zhangqiankl
[
Vasp&Me
]
[已完结]
一定压力下如何计算弹性常数的问题,请各位高手同志们帮忙解决!谢谢你们啦!
(5/1521)
奋力拼搏
2012-10-12
2012-10-14 20:36:53
by
losenq
[
Vasp&Me
]
[已完结]
用侯博士计算弹性常数的方法,计算NITI B2相的C11和C12出现了问题。求助高手!
(6/2203)
losenq
2012-09-07
2012-10-14 20:15:15
by
losenq
[
Vasp&Me
]
[已完结]
价带顶之上的电子数
(0/572)
hy1987007
2012-10-14
2012-10-14 19:17:47
by
hy1987007
[
Vasp&Me
]
[已完结]
求助:关于vasp模拟STM后得到的PARCHG的处理以及lev00的安装使用
(1/1782)
冷小漠
2012-10-13
2012-10-13 16:30:56
by
冷小漠
[
Vasp&Me
]
[已完结]
lev00 vasp
(1/270)
fjfuzhou
2012-10-11
2012-10-13 14:05:35
by
fjfuzhou
[
Vasp&Me
]
[已完结]
安装vasp时选择makefile问题
(2/312)
lzlgcdc
2012-10-12
2012-10-13 11:56:49
by
lzlgcdc
[
Vasp&Me
]
[已完结]
电子密度图 标原子
(
1
2
)
(17/2849)
chengliping
2012-03-22
2012-10-12 15:39:10
by
fjfuzhou
[
Vasp&Me
]
HSE能带不平滑
(评阅+2)
(1/839)
lascqy
2012-03-14
2012-10-12 13:11:41
by
qzz502
[
Vasp&Me
]
[已完结]
差分电荷密度图怎么画啊?
(评阅-5)
(4/1841)
chenxin1992
2012-10-11
2012-10-12 12:50:04
by
chenxin1992
[
Vasp&Me
]
[已完结]
Vasp应用求助
(0/194)
fengshiquan
2012-10-11
2012-10-11 09:39:14
by
fengshiquan
[
Vasp&Me
]
[已完结]
用phonopy计算声子谱已得到FORCE_SETS,之后我怎么得到声子谱?
(7/2542)
yayanoba
2012-06-26
2012-10-11 07:29:49
by
yayanoba
[
Vasp&Me
]
[已完结]
如何写vasp里的incar文件?
(2/2804)
kobe6777
2012-10-10
2012-10-10 09:36:58
by
shuxuewuliya
[
Vasp&Me
]
我在重复别人的工作,但计算结果跟文献上怎么也对不上
(8/1652)
chenxin1992
2012-10-04
2012-10-09 19:46:07
by
chenxin1992
[
Vasp&Me
]
vasp 几何优化在先?参数优化在先?
(17/1306)
zuocuiping
2012-10-06
2012-10-09 15:06:54
by
hzj12399
[
Vasp&Me
]
[已完结]
VASP计算输出文件里面哪里可以看到band gap啊?
(4/3527)
乌洛托品
2012-10-08
2012-10-09 09:51:03
by
魔鬼中的天使
[
Vasp&Me
]
[已完结]
VASP编译不成功
(1/608)
enrity
2012-10-08
2012-10-08 16:05:23
by
enrity
[
Vasp&Me
]
[已完结]
优化结果根本达不到ediffg=-0.02的设置精度
(1/804)
yuapple
2012-10-08
2012-10-08 15:01:30
by
cenwanglai
[
Vasp&Me
]
[已完结]
[关贴]
截断能测试计算
(8/2335)
cenwanglai
2012-10-05
2012-10-07 15:58:22
by
cenwanglai
[
Vasp&Me
]
[已完结]
怎么分辨频率是IR的还是Raman的?
(1ST强帖+1)
(9/2345)
lufly89
2011-11-28
2012-10-07 13:24:09
by
hakuna
[
Vasp&Me
]
[已完结]
求助:VASP 总态密度可以由两个自旋DOS绝对值相加不?
(
1
2
)
(10/2165)
fangyongxinxi
2012-06-05
2012-10-06 05:22:41
by
to_Landau
[
Vasp&Me
]
[已完结]
vasp做md计算
(1/1353)
liu108
2012-09-19
2012-10-05 12:29:32
by
chinamanner1
[
Vasp&Me
]
[已完结]
带电缺陷的相关问题
(4/1344)
wydzyx2003
2012-09-28
2012-10-05 08:44:48
by
enola
[
Vasp&Me
]
[已完结]
VASP购买问题
(1/485)
zeroentropy
2012-10-02
2012-10-05 07:37:52
by
bluewhale
[
Vasp&Me
]
[已完结]
vasp 过渡态计算 线性插值方法。
(8/3287)
fangyongxinxi
2011-05-28
2012-10-04 07:42:00
by
xx4751
[
Vasp&Me
]
[已完结]
能带小问题求助
(1/310)
yxz476440843
2012-09-27
2012-10-03 21:19:21
by
maliangcai
[
Vasp&Me
]
[专家]
[已完结]
现在vasp能算一些静态的电学性质吗?
(
1
2
)
(15/1926)
dxcharlary
2012-01-07
2012-10-02 12:41:05
by
future_wl
[
Vasp&Me
]
[已完结]
py,pz,px,dxy,dyz,dz2,dxz,dx2
(7/2347)
fjfuzhou
2012-09-29
2012-10-01 21:03:15
by
魔鬼中的天使
[
Vasp&Me
]
[已完结]
怎样把CONTCAR拷贝成下一次计算的POTCAR文件再进行计算
(6/1572)
zxgxbh2008
2011-07-13
2012-10-01 13:14:30
by
wanglikun08
[
Vasp&Me
]
[已完结]
运行vasp cpu效率低
(2/1123)
niuxiaoqi721
2012-09-30
2012-10-01 08:11:23
by
niuxiaoqi721
[
Vasp&Me
]
电荷密度图分析
(5/866)
fjfuzhou
2012-09-28
2012-09-29 17:24:02
by
416726641
[
Vasp&Me
]
[已完结]
CL_NEB方法搜索过渡态 怎么准确获得saddle-point 的几何及相应的振动频率?
(5/1880)
liupeitao20
2012-09-24
2012-09-29 08:57:59
by
zhangfan2192
[
Vasp&Me
]
[已完结]
DOS问题
(2/383)
aibude163
2012-09-27
2012-09-28 23:47:29
by
uuv2010
[
Vasp&Me
]
[已完结]
态密度问题求助
(1/577)
yxz476440843
2012-08-27
2012-09-27 22:29:13
by
yxz476440843
[
Vasp&Me
]
hole carrier densities
(2/286)
轻轻飘过之
2012-09-27
2012-09-27 16:34:35
by
轻轻飘过之
[
Vasp&Me
]
请教大家一个关于压力、温度模拟的问题
(4/1299)
future_wl
2012-09-25
2012-09-27 15:20:22
by
ChemiAndy
[
Vasp&Me
]
[已完结]
ZnO块体优化时考虑自旋,但是结果出错信息奇怪,请各位看一下是咋回事?贴出了INCAR
(5/674)
qzz502
2012-09-25
2012-09-27 10:07:10
by
qzz502
[
Vasp&Me
]
[已完结]
如何用VASP计算CoO的生成焓还有晶体结构,谢谢!
(2/1632)
may-sucess
2012-09-25
2012-09-26 18:31:07
by
casjxm
[
Vasp&Me
]
[已完结]
请问 vasp 势能 算法
(0/336)
nodding
2012-09-26
2012-09-26 17:44:51
by
nodding
[
Vasp&Me
]
[已完结]
partial band有什么含义
(0/205)
lyylyy1
2012-09-26
2012-09-26 15:16:17
by
lyylyy1
[
Vasp&Me
]
[已完结]
紧急求助vasp5.2怎样计算3阶光学极化率?
(0/253)
学员2eZz12
2012-09-26
2012-09-26 10:20:10
by
yzzzwei
[
Vasp&Me
]
[已完结]
请问vasp怎样就算安装完成
(2/713)
lzlgcdc
2012-09-12
2012-09-26 09:33:59
by
lzlgcdc
[
Vasp&Me
]
[已完结]
计算YTiO3的能带图,顶上有很大的震荡?why?
(1/378)
yayanoba
2012-09-25
2012-09-25 22:32:11
by
mousekingadv
[
Vasp&Me
]
[已完结]
[关贴]
金属氧化物簇是否需要加氢饱和边界?
(
1
2
)
(10/2150)
cenwanglai
2012-08-17
2012-09-25 15:41:44
by
farfaraway08
[
Vasp&Me
]
VASP可以控制元素化合价么
(10/1580)
极速小木虫
2012-04-21
2012-09-25 15:21:31
by
huangll99
[
Vasp&Me
]
[已完结]
如何在vasp中设定离子的价态
(
1
2
)
(18/5576)
gougou531
2011-10-19
2012-09-25 13:17:47
by
cr147369
[
Vasp&Me
]
[已完结]
MedeA问题
(7/433)
aibude163
2012-09-22
2012-09-25 12:05:33
by
aibude163
[
Vasp&Me
]
Lev00在vasp5的安装与使用
(4/1367)
wangzg9292
2012-04-21
2012-09-25 06:13:07
by
fjfuzhou
11436
88/115
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