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[
热点
]
退学或坚持读
难忘2018
2026-02-01
刚刚
[
Vasp&Me
]
[已完结]
关于La原子+U的问题
(2/948)
mazuju028
2013-05-25
2013-05-25 17:50:42
by
KalaShayminS
[
Vasp&Me
]
关于元素参杂,在引起体系引入孤电子的问题
(8/984)
enola
2013-05-23
2013-05-25 17:47:41
by
KalaShayminS
[
Vasp&Me
]
【求助】布居分布的相关求助
(10/2267)
fulin
2011-04-13
2013-05-25 14:06:47
by
cuicui2397
[
Vasp&Me
]
【求助】VASP中Zn的化学势是多少?
(15/3865)
bingmou
2011-03-01
2013-05-25 06:54:12
by
gongjijun
[
Vasp&Me
]
某些单质晶体的性质大家是如何获取的呢
(5/1148)
tider
2011-05-01
2013-05-25 06:52:45
by
pengliusss
[
Vasp&Me
]
[已完结]
【求助】关于VASP计算材料的晶格热导率
(8/4712)
ustbmars
2011-07-20
2013-05-25 05:16:29
by
gswylq
[
Vasp&Me
]
[已完结]
怎样解释电子为什么没有被计划?
(0/147)
zhlhhc
2013-05-24
2013-05-24 21:13:19
by
zhlhhc
[
Vasp&Me
]
[已完结]
离子液体模拟
(1/791)
hanyulun
2013-05-24
2013-05-24 14:31:32
by
tianlangxingaa
[
Vasp&Me
]
vasp中做利用NEB或者 Cl-NEB做动力学 需要怎样的计算机配置呢?
(14/1862)
xingyexue
2013-05-20
2013-05-24 12:35:14
by
enola
[
Vasp&Me
]
[已完结]
求助算稀土镧元素的晶体总能的incar怎么编辑,正确后还可再加25金币
(0/281)
xiaoyaobeiji
2013-05-24
2013-05-24 09:51:01
by
xiaoyaobeiji
[
Vasp&Me
]
[已完结]
关于vasp计算磁性结构的问题
(4/1292)
lizeqian
2011-04-20
2013-05-24 07:40:03
by
随便注册
[
Vasp&Me
]
[已完结]
体系电子数和DOSCAR中积分的电子数不一样是怎么回事啊?
(4/1561)
Gina88
2012-12-20
2013-05-24 06:54:54
by
Gina88
[
Vasp&Me
]
[已完结]
VASP集群计算E-V
(0/285)
wuyecug
2013-05-23
2013-05-23 18:22:12
by
wuyecug
[
Vasp&Me
]
自洽时没设置LAECHG=.TRUE.,还能用bader分析电荷吗?
(2/1746)
春华秋实2020
2013-05-23
2013-05-23 17:49:29
by
春华秋实2020
[
Vasp&Me
]
[已完结]
求助:求助几篇用ELF图解释电子局域问题的文献。
(0/191)
zhlhhc
2013-05-23
2013-05-23 09:22:33
by
zhlhhc
[
Vasp&Me
]
VASP5.3.2大内存崩溃的解决方案
(9/2543)
y1ding
2012-11-30
2013-05-23 06:52:02
by
y1ding
[
Vasp&Me
]
[已完结]
如何从EIGENVAL文件中读取带隙,求教
(8/3432)
lzlgcdc
2013-05-22
2013-05-23 00:39:00
by
KalaShayminS
[
Vasp&Me
]
为什么这个VESTA的2D面试斜的呢,怎样调整变成四方的呢?
(2/730)
zhlhhc
2013-05-22
2013-05-22 19:35:35
by
liyong.gan
[
Vasp&Me
]
Eatom 和Esolid有什么区别?
(0/1130)
呜呜哗啦
2013-05-22
2013-05-22 16:19:52
by
呜呜哗啦
[
Vasp&Me
]
[已完结]
大家帮忙看一下这个电荷密度
(
1
2
)
(19/1844)
wangdading
2013-05-14
2013-05-22 11:12:01
by
wangdading
[
Vasp&Me
]
[已完结]
split-dos分割完DOSCAR
(0/423)
zhouyj999
2013-05-22
2013-05-22 09:08:13
by
zhouyj999
[
Vasp&Me
]
[已完结]
请问下用vasp计算稀土元素的单质的incar怎么编辑,稀土中任何一个元素都行
(8/1654)
xiaoyaobeiji
2013-04-27
2013-05-22 08:35:34
by
xiaoyaobeiji
[
Vasp&Me
]
[已完结]
稀土镧元素的晶格结构,求助!!!!
(1/392)
xiaoyaobeiji
2013-05-21
2013-05-21 16:16:04
by
未来5885
[
Vasp&Me
]
[已完结]
求助 :VASP中怎么实现真空层添加一个偶极距
(0/729)
gbasp2003
2013-05-21
2013-05-21 14:48:40
by
gbasp2003
[
Vasp&Me
]
[已完结]
通过什么方法可以解释电子的局域性?
(0/1544)
zhlhhc
2013-05-21
2013-05-21 10:44:34
by
zhlhhc
[
Vasp&Me
]
[已完结]
虚心求教:怎样用OriginPro 8 画如图2的能带图?
(9/3022)
zhlhhc
2013-03-27
2013-05-20 17:36:47
by
llllllllllll
[
Vasp&Me
]
[已完结]
vasp中给晶格加恒定静水压力优化问题
(0/1268)
wang-lf09
2013-05-20
2013-05-20 15:34:14
by
wang-lf09
[
Vasp&Me
]
[已完结]
如何用vasp的计算结果画出 fat band
(4/3112)
小木虫于
2012-10-15
2013-05-20 14:59:22
by
llllllllllll
[
Vasp&Me
]
[已完结]
态密度计算问题
(3/546)
will_123
2013-05-13
2013-05-20 10:40:10
by
缺心眼桌
[
Vasp&Me
]
[已完结]
静态自洽计算能量时EDIFFG的问题
(
1
2
)
(1ST强帖+1)
(14/3633)
缺心眼桌
2011-05-04
2013-05-20 06:22:12
by
缺心眼桌
[
Vasp&Me
]
[已完结]
能带计算设置求教
(8/1163)
lzlgcdc
2013-05-17
2013-05-20 01:03:42
by
lzlgcdc
[
Vasp&Me
]
限制磁矩方向 constraint field
(13/1500)
umklapp
2013-05-16
2013-05-18 17:31:17
by
haixiawu
[
Vasp&Me
]
[已完结]
vasp 编译问题
(4/802)
真情无价108
2013-04-08
2013-05-18 12:04:43
by
动画片
[
Vasp&Me
]
[已完结]
VASP安装安装的问题
(4/1009)
XuChengyong
2013-05-17
2013-05-18 03:09:18
by
XuChengyong
[
Vasp&Me
]
[已完结]
弹性常数计算
(0/995)
贝芷苡
2013-05-17
2013-05-17 21:39:19
by
贝芷苡
[
Vasp&Me
]
[已完结]
VASP 计算石墨烯周期边界加真空吗?
(2/425)
春华秋实2020
2013-05-17
2013-05-17 20:20:46
by
iamguoxi
[
Vasp&Me
]
[已完结]
能带带隙如何查看,求教
(
1
2
)
(10/4571)
lzlgcdc
2013-04-30
2013-05-17 11:14:36
by
lzlgcdc
[
Vasp&Me
]
[已完结]
【求助】VASP5.2 编译出错make
(0/1386)
xs1258
2013-05-17
2013-05-17 11:10:22
by
xs1258
[
Vasp&Me
]
[已完结]
并行计算
(1/242)
贝芷苡
2013-05-17
2013-05-17 10:59:27
by
贝芷苡
[
Vasp&Me
]
[已完结]
怎样用VESTA做ELFCAR的图?
(0/724)
zhlhhc
2013-05-17
2013-05-17 10:36:11
by
zhlhhc
[
Vasp&Me
]
如何用第一性原理对晶界进行拉伸?
(5/1472)
lijuanshu
2013-05-16
2013-05-17 08:43:18
by
KalaShayminS
[
Vasp&Me
]
[已完结]
NiTi B19'相拟合Brich-Murnaghan状态方程的参数值B'
(4/874)
losenq
2012-09-20
2013-05-17 07:20:33
by
paopaotu326
[
Vasp&Me
]
[已完结]
vasp5.2计算E-V曲线
(6/1699)
yi315730581
2012-05-03
2013-05-16 08:33:21
by
fjfuzhou
[
Vasp&Me
]
VASP中采用GGA+U或LDA+U计算弹性常数,U值对弹性常数影响大吗
(6/1221)
zh2627005
2013-05-10
2013-05-16 02:42:48
by
umklapp
[
Vasp&Me
]
【求助】如何限制磁矩方向
(
1
2
3
)
(21/3700)
含草
2010-10-06
2013-05-16 02:10:01
by
umklapp
[
Vasp&Me
]
[已完结]
问磁化的一个单位:emu/gr
(4/1189)
byin
2013-05-13
2013-05-15 13:33:22
by
byin
[
Vasp&Me
]
[已完结]
vasp编译出问题了。。。求助啊
(1/515)
真情无价108
2013-05-15
2013-05-15 11:24:59
by
likai0106
[
Vasp&Me
]
[已完结]
vasp计算时,优化和应力应变计算出问题了
(1/1810)
0icecream
2013-05-14
2013-05-15 08:15:47
by
171713294
[
Vasp&Me
]
[已完结]
vasp如何计算铁电体的berry phase
(8/2991)
gougou531
2012-07-11
2013-05-15 05:20:23
by
future_wl
[
Vasp&Me
]
[已完结]
BiFeO3的DOS問題
(4/1001)
egg19900805
2013-05-13
2013-05-14 19:56:23
by
iamikaruk
[
Vasp&Me
]
[已完结]
DOS图分析,怎么费米能及在0上呢
(9/1764)
1051358187
2013-05-13
2013-05-14 16:23:56
by
1051358187
[
Vasp&Me
]
【求助】关于锂原子vasp计算后的1s2s2p分波态密度处理
(
1
2
)
(12/3134)
雁儿霏霏
2010-05-05
2013-05-14 12:59:17
by
拨云见日no1
[
Vasp&Me
]
[已完结]
用vasp如何计算声子谱
(1/696)
wpzl4181005
2013-05-13
2013-05-13 21:52:50
by
171713294
[
Vasp&Me
]
[已完结]
固定C軸 鬆弛A B軸 的方法
(2/512)
egg19900805
2013-05-13
2013-05-13 20:11:00
by
egg19900805
[
Vasp&Me
]
[已完结]
掺杂后的杂质能级应该算在价带还是导带呢?或者……求教
(
1
2
)
(11/2300)
lzlgcdc
2013-05-08
2013-05-13 14:47:26
by
gkf高
[
Vasp&Me
]
[已完结]
高对称点的选取
(1/964)
荷西树
2013-05-13
2013-05-13 14:27:03
by
荷西树
[
Vasp&Me
]
【求助】求vasp4.6手册及coop计算问题
(6/2368)
xiaosi8758
2010-05-09
2013-05-13 13:36:00
by
anuil
[
Vasp&Me
]
[已完结]
求一篇关于半导体掺杂后讨论带隙变化的文章
(2/1000)
lzlgcdc
2013-05-09
2013-05-13 10:23:34
by
gkf高
[
Vasp&Me
]
[已完结]
[关贴]
【重新开帖】KPOINTS的测试脚本问题
(2/1028)
GTF1902
2013-05-12
2013-05-13 10:01:00
by
GTF1902
[
Vasp&Me
]
关于HSE06和光性质的若干问题的争议解决方案
(
1
2
3
)
(20/1972)
wuli8
2013-04-07
2013-05-13 09:38:13
by
shirley8295
[
Vasp&Me
]
[已完结]
VASP算光学性质
(3/1117)
苦行客
2013-05-12
2013-05-12 12:51:23
by
171713294
[
Vasp&Me
]
[已完结]
VASP软件使用
(6/1060)
xixiboy123
2013-05-09
2013-05-12 10:57:10
by
cuicui2397
[
Vasp&Me
]
【其他】第一性原理做有序-无序相变(讨论帖)
(4/926)
qiqi2926
2010-11-07
2013-05-11 19:11:24
by
iamikaruk
[
Vasp&Me
]
[已完结]
限制磁矩方向Constraining the direction of magnetic moments
(6/1227)
uuv2010
2012-03-01
2013-05-10 12:13:48
by
贝芷苡
[
Vasp&Me
]
[已完结]
under pressure 和 under strain 分别代表什么呢?
(0/870)
pariah
2013-05-10
2013-05-10 11:31:05
by
pariah
[
Vasp&Me
]
[已完结]
vasp提交作业问题 syntax error:
(2/335)
赵聪怡
2013-05-08
2013-05-09 18:32:20
by
fanarsenal
[
Vasp&Me
]
形成能怎么算?
(7/1918)
呜呜哗啦
2013-05-06
2013-05-09 15:23:54
by
呜呜哗啦
[
Vasp&Me
]
表面吸附模拟 结构优化
(5/1151)
kobe6777
2013-05-06
2013-05-09 10:43:13
by
171713294
[
Vasp&Me
]
大家知道暑假有基础VASP培训班没有啊?
(3/855)
aibude163
2013-05-06
2013-05-09 08:53:36
by
babaleo
[
Vasp&Me
]
[已完结]
怎么在VASP结果中得到各个原子的化合价呀!谢谢
(1/1673)
1051358187
2013-05-08
2013-05-09 08:21:51
by
171713294
[
Vasp&Me
]
[已完结]
WAVECAR 和 CHGCAR 沒有產生
(5/1313)
egg19900805
2013-05-07
2013-05-08 15:48:51
by
zjzphy
[
Vasp&Me
]
[已完结]
vasp5.2光学性质计算的疑问
(5/1838)
chenxin1992
2013-04-03
2013-05-08 13:06:19
by
fly_elephan
[
Vasp&Me
]
[已完结]
LORBIT参数如何设置
(1/1254)
zhouyj999
2013-05-08
2013-05-08 08:18:45
by
171713294
[
Vasp&Me
]
[已完结]
掺杂后带隙如何计算,求指导
(5/938)
lzlgcdc
2013-05-07
2013-05-07 21:16:53
by
lzlgcdc
[
Vasp&Me
]
[已完结]
VASP 磁矩 mag跟OUTCAR最后total 不相等??
(6/2085)
lu_wei07
2013-05-05
2013-05-07 16:14:01
by
HCH_Deven
[
Vasp&Me
]
[已完结]
50金币求助钛酸锶(STO)光学性质vasp计算结果
(2/604)
无比小菜鸟
2013-05-06
2013-05-07 06:45:35
by
无比小菜鸟
[
Vasp&Me
]
[已完结]
DOS态密度作图
(4/2831)
kobe6777
2013-05-06
2013-05-07 05:43:49
by
gaolugang
[
Vasp&Me
]
[已完结]
[关贴]
vasp模拟拉伸时的应力应变曲线问题
(0/2904)
zyren123
2013-05-06
2013-05-06 13:37:26
by
zyren123
[
Vasp&Me
]
[已完结]
单机编译安装vasp求指导
(
1
2
)
(10/2593)
zzzaqxq
2013-04-30
2013-05-06 07:41:07
by
liliangfang
[
Vasp&Me
]
[已完结]
为何计算的形成能偏高
(1/515)
hy1987007
2013-04-08
2013-05-05 17:34:27
by
mumu216
[
Vasp&Me
]
[已完结]
做掺杂的话晶格的角度要优化吗?
(1/924)
vodka
2013-05-05
2013-05-05 15:48:08
by
vodka
[
Vasp&Me
]
[已完结]
Pd晶胞
(0/380)
LLaiYY
2013-05-05
2013-05-05 11:46:14
by
LLaiYY
[
Vasp&Me
]
【求助】界面或表面的参数设置
(4/515)
liluyan
2010-07-14
2013-05-05 07:38:23
by
wanjiayu0116
[
Vasp&Me
]
[已完结]
请问vasp结果怎么做电荷分析
(0/961)
zsjan
2013-05-04
2013-05-04 15:24:47
by
zsjan
[
Vasp&Me
]
[已完结]
在做Cu2O的表面弛豫 弱弱地问一句POSCAR中Cu2O的原胞基矢应该怎么写?
(1/348)
苦逼牛逼
2013-05-03
2013-05-04 08:54:55
by
171713294
[
Vasp&Me
]
谁能帮我解释这些设置
(4/928)
370108316
2013-04-27
2013-05-03 11:26:47
by
370108316
[
Vasp&Me
]
[已完结]
[关贴]
初学vasp,编译vasplib出错------dlexlib.f
(7/1857)
victemww
2013-05-02
2013-05-03 10:39:59
by
victemww
[
Vasp&Me
]
[已完结]
反铁磁性计算
(7/1198)
wpzl4181005
2013-04-17
2013-05-03 08:13:09
by
wpzl4181005
[
Vasp&Me
]
[已完结]
铁电薄膜的电势分布问题
(
1
2
3
4
5
6
..
7
)
(63/2984)
byin
2012-05-16
2013-05-03 05:59:57
by
wllgnxl99
[
Vasp&Me
]
[已完结]
[关贴]
关于候老师产生K点的小程序,哪里可以找到使用说明?
(1/502)
wkfan8988
2013-05-02
2013-05-02 15:07:29
by
阚敏
[
Vasp&Me
]
[已完结]
求助能分开f电子的split-dos?
(0/230)
zhouyj999
2013-05-02
2013-05-02 12:23:08
by
zhouyj999
[
Vasp&Me
]
[已完结]
请教FeO超胞收敛问题
(4/1087)
hypnos
2013-03-06
2013-05-02 03:24:54
by
identation
[
Vasp&Me
]
求一个VASP5.2的启动程序
(3/816)
zh2627005
2013-04-28
2013-05-01 14:30:25
by
longwen36
[
Vasp&Me
]
【求助】关于LORBIT的设置
(7/1877)
lgxyz
2010-08-29
2013-05-01 06:50:43
by
identation
[
Vasp&Me
]
[已完结]
ELF计算BiFeO3孤对电子的问题
(
1
2
)
(10/2149)
byin
2012-05-21
2013-04-30 07:39:44
by
future_wl
[
Vasp&Me
]
[已完结]
石墨烯原胞与超晶胞能带为什么不同
(1/1997)
要坚强
2013-04-26
2013-04-30 00:22:40
by
nandagulou
[
Vasp&Me
]
[已完结]
bader分析
(3/971)
xiaoluoj
2013-03-20
2013-04-29 10:21:19
by
KalaShayminS
[
Vasp&Me
]
【求助】有关声子软化的处理
(12/2619)
ywyou
2010-12-27
2013-04-29 05:10:34
by
identation
[
Vasp&Me
]
【求助】MedeA-VASP 计算时老是死机
(9/1848)
justinjlc
2011-03-09
2013-04-28 20:29:25
by
lilanvlinwei
11436
81/115
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