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最后发表
[
热点
]
286分调剂
Faune
2026-04-04
刚刚
[
Vasp&Me
]
[已完结]
DOS 求助
(1/304)
applemeng0
2011-10-26
2011-10-27 14:12:12
by
uuv2010
[
Vasp&Me
]
[已完结]
[关贴]
VASP提任务一直出错 LAPACK: Routine ZPOTRF failed! 1
(3/3672)
honeyiclover
2011-10-26
2011-10-27 09:47:24
by
likai0106
[
Vasp&Me
]
【分享】p4vasp for windows install.rar(30MB)
(
1
2
)
(78/11048)
oyljw
2009-06-13
2011-10-27 09:19:37
by
drasgum
[
Vasp&Me
]
[已完结]
p4vasp安装问题
(2/943)
longchang
2011-10-24
2011-10-27 08:46:58
by
longchang
[
Vasp&Me
]
[已完结]
初学VASP的几点疑问
(0/492)
gtolv8688
2011-10-26
2011-10-26 14:11:55
by
gtolv8688
[
Vasp&Me
]
[已完结]
如何用VASP计算体系中每一类原子的DOS?
(
1
2
)
(10/2438)
韩D小希
2011-09-13
2011-10-26 14:09:54
by
likai0106
[
Vasp&Me
]
[已完结]
由能带图求电子有效质量
(1/1519)
小豆sumy
2011-10-26
2011-10-26 13:25:05
by
贺仪
[
Vasp&Me
]
[已完结]
表面 吸附计算DOS的问题
(0/608)
zxgxbh2008
2011-10-26
2011-10-26 10:50:12
by
zxgxbh2008
[
Vasp&Me
]
[已完结]
掺杂以后体系能量升高了,体系是否不稳定啊?
(3/937)
gougou531
2011-10-26
2011-10-26 10:32:28
by
cell
[
Vasp&Me
]
[已完结]
VASP计算:LORBIT设置出现问题
(5/2444)
gougou531
2011-09-28
2011-10-26 10:13:09
by
cenwanglai
[
Vasp&Me
]
[已完结]
编译vasp缺少-lcblas
(5/1142)
panjinbo87
2011-10-21
2011-10-25 19:03:43
by
hnuzhoulin
[
Vasp&Me
]
[关贴]
vasp5.2中用HSE和GW怎么计算态密度dos阿?
(0/676)
zhuzx
2011-10-25
2011-10-25 10:51:24
by
zhuzx
[
Vasp&Me
]
vasp运行被强制终止是什么原因引起的?
(7/2148)
tt-0-8
2011-10-14
2011-10-24 23:35:51
by
liuds7792
[
Vasp&Me
]
[已完结]
VASP 磁性BerryPhase计算问题(Berryphase异常大)
(3/1555)
zhang668
2011-10-24
2011-10-24 20:25:49
by
liuhuimeiwoo
[
Vasp&Me
]
[已完结]
VASP计算结果出来后,怎样得到结合能和生成焓?
(4/4206)
dyc_2008
2011-10-13
2011-10-24 18:30:02
by
encke
[
Vasp&Me
]
[已完结]
vasp NEB INCAR文件修改求助
(1/986)
fangyongxinxi
2011-10-24
2011-10-24 14:59:27
by
hakuna
[
Vasp&Me
]
运行VASP的一段程序大家看看是哪里的问题
(0/158)
qshine0210
2011-10-24
2011-10-24 12:42:26
by
qshine0210
[
Vasp&Me
]
[已完结]
怎样看懂电荷密度图?
(0/763)
dyc_2008
2011-10-24
2011-10-24 11:07:16
by
dyc_2008
[
Vasp&Me
]
[已完结]
能带计算中K点设置问题
(3/1469)
zxgxbh2008
2011-10-22
2011-10-23 09:53:16
by
hezhu
[
Vasp&Me
]
请问NMAG是什么?
(2/1228)
Tea_Candy
2011-08-28
2011-10-22 23:22:00
by
uuv2010
[
Vasp&Me
]
[已完结]
计算过渡族原子基态能量
(0/230)
小木虫于
2011-10-22
2011-10-22 21:05:44
by
小木虫于
[
Vasp&Me
]
[已完结]
能带结构呈锯齿形,是怎么回事?
(
1
2
)
(17/2659)
Gina88
2011-10-19
2011-10-22 17:02:38
by
Gina88
[
Vasp&Me
]
[已完结]
vasp并行测试时出错。
(7/1902)
panjinbo87
2011-10-03
2011-10-21 20:34:33
by
hnuzhoulin
[
Vasp&Me
]
[已完结]
一维结构静态计算的EIGINVAL可以直接看成能带结构吗?
(0/403)
Gina88
2011-10-21
2011-10-21 11:19:33
by
Gina88
[
Vasp&Me
]
[已完结]
VASP5.2进行结构优化出现的问题
(2/425)
ldyu
2011-10-13
2011-10-20 22:06:17
by
贺仪
[
Vasp&Me
]
[已完结]
没有WAVECAR和CHARCAR产生?
(5/1124)
xx2008
2011-10-14
2011-10-20 16:17:16
by
likai0106
[
Vasp&Me
]
[已完结]
表面吸附问题
(2/345)
zxgxbh2008
2011-10-20
2011-10-20 15:21:30
by
gfunction
[
Vasp&Me
]
[已完结]
Medea问题
(3/338)
zxgxbh2008
2011-10-17
2011-10-19 12:36:15
by
zxgxbh2008
[
Vasp&Me
]
[已完结]
请问有人有稀土Ce Pr Nd Sm Eu Gd Tb包含4f价电子的PAW赝势吗
(3/1213)
viebn
2011-10-15
2011-10-19 11:38:47
by
后天一
[
Vasp&Me
]
[已完结]
做表面吸附的同学,请进来看下关于如何考虑相邻吸附原子间的相互作用...
(
1
2
)
(10/2429)
gfunction
2011-10-17
2011-10-19 11:26:13
by
gfunction
[
Vasp&Me
]
[已完结]
差分电荷密度AB-A-B系统的算法问题
(0/324)
CXC_小草
2011-10-19
2011-10-19 10:17:18
by
CXC_小草
[
Vasp&Me
]
[已完结]
结构优化时遇到的问题
(4/3353)
zxgxbh2008
2011-10-17
2011-10-18 09:45:57
by
zxgxbh2008
[
Vasp&Me
]
[已完结]
50个原子,CI-NEB搜索过渡态需要多大内存?
(1/578)
burwoad
2011-10-16
2011-10-18 09:06:54
by
avast2009
[
Vasp&Me
]
[已完结]
四方晶胞的POSCAR怎么写?
(1/317)
superstat54
2011-10-17
2011-10-18 08:34:52
by
fzx2008
[
Vasp&Me
]
[已完结]
求反铁磁磁距设置问题
(2/567)
wangla
2011-10-14
2011-10-17 16:02:42
by
wangla
[
Vasp&Me
]
请问大家一般都用charge density分析哪些性质
(11/2382)
byin
2011-10-16
2011-10-17 14:26:18
by
huazhorg
[
Vasp&Me
]
[已完结]
lev00_3.26安装
(0/275)
Illusionist
2011-10-17
2011-10-17 09:27:03
by
Illusionist
[
Vasp&Me
]
在VASP+PHONON中,怎样读力常数矩阵?
(0/553)
gemucai
2011-10-17
2011-10-17 08:53:45
by
gemucai
[
Vasp&Me
]
[已完结]
结构优化不收敛
(6/2627)
zxgxbh2008
2011-09-02
2011-10-17 08:34:53
by
zxgxbh2008
[
Vasp&Me
]
[已完结]
如和用vasp计算肖特基势垒
(1/1718)
xiaoboy185
2011-10-15
2011-10-17 08:09:41
by
yuwenxianglong
[
Vasp&Me
]
[已完结]
运算出错
(1/677)
tt-0-8
2011-10-15
2011-10-16 19:58:52
by
leehb870605
[
Vasp&Me
]
[已完结]
结构优化问题
(3/252)
zxgxbh2008
2011-10-13
2011-10-16 19:07:03
by
ApolloYang
[
Vasp&Me
]
[已完结]
有人用vasp计算过coop吗?
(2/929)
byin
2011-09-28
2011-10-16 18:51:36
by
cavediger
[
Vasp&Me
]
[已完结]
vasp计算中,如何选择正确的K点
(7/6839)
fangyongxinxi
2011-10-12
2011-10-16 16:29:54
by
dazao
[
Vasp&Me
]
[已完结]
结构优化
(5/682)
zxgxbh2008
2011-10-16
2011-10-16 14:46:23
by
zxgxbh2008
[
Vasp&Me
]
[已完结]
[关贴]
求文献
(0/148)
liliangfang
2011-10-16
2011-10-16 09:22:09
by
liliangfang
[
Vasp&Me
]
[已完结]
lev00处理差分电荷密度CHGCAR出现的小问题
(0/418)
泰山童子
2011-10-15
2011-10-15 22:13:35
by
泰山童子
[
Vasp&Me
]
【已解决】RWIGS的问题
(3/1080)
youzhizhe
2010-11-24
2011-10-14 19:06:41
by
youzhizhe
[
Vasp&Me
]
[已完结]
dimer计算过渡态到0.01eV/A还有两个虚频率
(0/393)
cenwanglai
2011-10-14
2011-10-14 17:15:12
by
cenwanglai
[
Vasp&Me
]
[已完结]
vasp优化力收敛条件
(6/2570)
corbin
2011-10-13
2011-10-14 15:59:24
by
corbin
[
Vasp&Me
]
[已完结]
[关贴]
【求助】计算Mg3Ce的DOS的问题
(6/755)
llg1987
2011-10-13
2011-10-13 23:00:31
by
liuhuimeiwoo
[
Vasp&Me
]
[已完结]
[关贴]
求两篇文献
(1/256)
困龙
2011-10-13
2011-10-13 19:56:56
by
fzx2008
[
Vasp&Me
]
[已完结]
求助:vasp结构优化不能收敛
(
1
2
)
(18/4576)
ApolloYang
2011-10-10
2011-10-13 08:51:35
by
ApolloYang
[
Vasp&Me
]
[已完结]
表面吸附问题
(5/734)
zxgxbh2008
2011-10-11
2011-10-12 20:32:20
by
zxgxbh2008
[
Vasp&Me
]
[已完结]
BaAl4S7的实验带隙值?
(3/400)
282926214
2011-04-27
2011-10-12 14:48:37
by
youzhizhe
[
Vasp&Me
]
[已完结]
怎么在vasp里面设置,计算spin orbital coupling
(2/820)
crante
2011-10-12
2011-10-12 13:53:00
by
fzx2008
[
Vasp&Me
]
[已完结]
求助:p4vasp为什么无法打开vasprun.xml?
(4/2330)
liuhuimeiwoo
2011-10-11
2011-10-12 11:17:38
by
liuhuimeiwoo
[
Vasp&Me
]
[已完结]
用vasp-band算的能带的横坐标是G 还是 Ḡ?
(2/292)
crante
2011-10-11
2011-10-12 09:52:38
by
crante
[
Vasp&Me
]
[已完结]
磁性物质DOSCAR怎么拆分
(7/918)
viebn
2011-09-29
2011-10-11 19:14:22
by
zhenxinfly
[
Vasp&Me
]
有关磁性问题
(3/648)
wangla
2011-10-10
2011-10-11 12:17:31
by
uuv2010
[
Vasp&Me
]
[已完结]
[关贴]
关于MedeA软件的问题
(9/1244)
zxgxbh2008
2011-08-18
2011-10-11 09:43:34
by
zxgxbh2008
[
Vasp&Me
]
[已完结]
求计算石墨烯吸附过度金属能带的INCAR和KPOINTS
(1/604)
luoyanfeng
2011-10-10
2011-10-10 22:46:00
by
uuv2010
[
Vasp&Me
]
求vasp 5.2源程序
(1/374)
zcntydyd
2011-10-10
2011-10-10 22:31:26
by
souledge
[
Vasp&Me
]
[已完结]
Vasp LDA以及GGA的问题
(6/1745)
w76990480
2011-10-09
2011-10-10 10:15:07
by
kmw.8668
[
Vasp&Me
]
感觉用LORBIT=10..12计算site-projected,有点不靠谱啊
(12/2205)
byin
2011-09-22
2011-10-09 23:00:20
by
byin
[
Vasp&Me
]
[已完结]
第一性原理如何计算有效质量
(1/704)
子虚乌有5388
2011-10-09
2011-10-09 21:45:26
by
贺仪
[
Vasp&Me
]
[专家]
[已完结]
vasp进行固定某些原子的某些坐标的结构优化
(5/2858)
dxcharlary
2011-10-09
2011-10-09 16:22:01
by
gaojunfeng83
[
Vasp&Me
]
[已完结]
同一个原胞用vasp和castep结构优化后为什么能量差距很大
(6/2835)
hhshimin
2011-09-26
2011-10-09 15:49:19
by
06022043
[
Vasp&Me
]
[已完结]
请问如何构建纳米线?谢谢大家
(1/302)
calos818
2011-10-08
2011-10-09 12:01:16
by
calos818
[
Vasp&Me
]
[已完结]
Mg12Ce(II)的原子坐标
(0/265)
zengalice
2011-10-09
2011-10-09 11:32:00
by
zengalice
[
Vasp&Me
]
[专家]
[已完结]
vtst的NEB计算
(0/413)
dxcharlary
2011-10-08
2011-10-08 23:06:55
by
dxcharlary
[
Vasp&Me
]
[已完结]
并行编译vasp出错,make: *** 没有规则可以创建“vasp”需要的目标“xml.o”。 停止
(
1
2
)
(12/2226)
pgi1706
2011-09-23
2011-10-07 17:48:15
by
wusongz
[
Vasp&Me
]
[已完结]
怎么得到旋轨耦合中不同J值的本征值和波函数?
(1ST强帖+1)
(6/2383)
uvv2010
2011-10-01
2011-10-07 16:23:08
by
zhang668
[
Vasp&Me
]
理解不透!急求帮忙!!!
(评阅-11)
(1ST强帖+2)
(8/1451)
kmw.8668
2011-09-26
2011-10-06 08:49:13
by
kmw.8668
[
Vasp&Me
]
[已完结]
VASP Γ点的并行如何编译啊?
(2/572)
panjinbo87
2011-10-05
2011-10-05 22:01:34
by
panjinbo87
[
Vasp&Me
]
[已完结]
弱弱地问一句:玻恩有效电荷是不是没有单位?如果有,是什么?
(4/1200)
donggaomin
2011-10-01
2011-10-03 12:38:45
by
donggaomin
[
Vasp&Me
]
[已完结]
如何理解VASP计算得的极化P的数据?请计算过极化的同行赐教
(2/906)
donggaomin
2011-10-01
2011-10-02 20:33:21
by
dhc198611
[
Vasp&Me
]
[已完结]
请问bader电荷分析得到的电荷是否可用于态密度分析,区别在哪?另外,...
(1/552)
piaoxue001
2011-10-01
2011-10-02 18:22:21
by
uuv2010
[
Vasp&Me
]
[已完结]
用vasp如何计算能带图和态密度图呢?
(
1
2
)
(11/3658)
韩D小希
2011-08-25
2011-10-01 20:00:13
by
sxjsn1
[
Vasp&Me
]
[已完结]
为什么加了NPAR=1之后,电子步就报错
(6/1247)
byin
2011-09-30
2011-10-01 14:51:26
by
uuv2010
[
Vasp&Me
]
[已完结]
elastic
(4/670)
哥是传说
2011-09-28
2011-09-30 09:35:43
by
哥是传说
[
Vasp&Me
]
[已完结]
vasp计算光学性质的问题
(1/3228)
yygnkd
2011-04-27
2011-09-30 08:27:59
by
gougou531
[
Vasp&Me
]
[已完结]
NiO surface band gap.
(0/190)
B.C.Wang
2011-09-29
2011-09-29 22:55:37
by
B.C.Wang
[
Vasp&Me
]
[已完结]
vasp并行出错,急于求助!!!
(
1
2
)
(13/1713)
daidai~
2011-09-24
2011-09-29 10:04:53
by
daidai~
[
Vasp&Me
]
[已完结]
急求晶格参数
(2/272)
wangla
2011-09-22
2011-09-29 09:29:34
by
刘LOVEH
[
Vasp&Me
]
[已完结]
怎么建超原胞
(3/903)
wangla
2011-09-28
2011-09-29 08:11:46
by
souledge
[
Vasp&Me
]
[已完结]
Reviews of Modern Physics综述
(5/1345)
困龙
2011-09-23
2011-09-28 18:20:01
by
困龙
[
Vasp&Me
]
[已完结]
求三个元素的PAW赝势
(1/255)
qianbj2006
2011-09-28
2011-09-28 17:30:18
by
wanglianli136
[
Vasp&Me
]
[已完结]
求大家帮我看看脚本里有没有语法错误啊,不胜感谢!
(2/227)
轻轻飘过之
2011-09-28
2011-09-28 11:39:05
by
qiqi2926
[
Vasp&Me
]
[已完结]
态密度的展宽问题
(1/632)
quby7503
2011-09-27
2011-09-28 06:46:36
by
utdwang
[
Vasp&Me
]
有关赝势
(4/577)
liudandan3767
2011-09-27
2011-09-27 23:41:49
by
iamikaruk
[
Vasp&Me
]
[已完结]
vasp做过渡态:image, 初末态设置
(0/2293)
fangyongxinxi
2011-09-27
2011-09-27 16:12:10
by
fangyongxinxi
[
Vasp&Me
]
[已完结]
求高人指点
(2/481)
泰山童子
2011-09-25
2011-09-27 15:33:36
by
viebn
[
Vasp&Me
]
【求助】关于空位形成能
(3/1297)
bnliu
2010-11-26
2011-09-27 14:39:31
by
s20080718
[
Vasp&Me
]
[已完结]
bcc-fcc金属过渡态计算中,如何确立初始和最终态?
(1/418)
fangyongxinxi
2011-09-26
2011-09-27 09:41:55
by
fanchen021
[
Vasp&Me
]
【求助】如何使用VASP画费米面。
(
1
2
)
(13/3766)
gleerat
2010-06-30
2011-09-26 21:19:39
by
liuhuimeiwoo
[
Vasp&Me
]
[已完结]
请教该脚本中操作符&的位置是否正确?
(4/469)
daidai~
2011-09-26
2011-09-26 17:51:13
by
dxcharlary
[
Vasp&Me
]
[已完结]
VASP计算碳纳米管能带结构
(2/804)
lirui1029
2011-09-04
2011-09-26 14:10:22
by
chgzhong
[
Vasp&Me
]
[已完结]
离子环境计算是否可以进行
(2/329)
phys
2011-09-08
2011-09-26 09:59:45
by
uuv2010
11439
100/115
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