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Vasp&MedeA
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最后发表
[
热点
]
面上可以超过30页吧?
阿拉贡aragon
2026-02-28
刚刚
[
Vasp&Me
]
[已完结]
fropho声子谱
(6/551)
lhcl
2012-03-05
2012-03-08 16:46:34
by
lhcl
[
Vasp&Me
]
[已完结]
帮查下KTaO3的ICSD
(4/1100)
lufly89
2012-03-03
2012-03-08 14:55:17
by
lufly89
[
Vasp&Me
]
[已完结]
vasp就算态密度
(1/398)
xiehui0608
2012-03-08
2012-03-08 14:41:13
by
uuv2010
[
Vasp&Me
]
[已完结]
vasp k点
(6/725)
xiaoboy185
2012-02-24
2012-03-08 14:17:32
by
dielectric1
[
Vasp&Me
]
[已完结]
不同功能vasp的编译
(4/1475)
shelay
2012-03-07
2012-03-08 13:17:26
by
uuv2010
[
Vasp&Me
]
[已完结]
关于VASP手册中两个参数设置的问题,希望大家指点一下!
(2/1303)
buct2010
2012-02-29
2012-03-08 08:14:04
by
09njtpw
[
Vasp&Me
]
[已完结]
vasp中每个离子步结束后的dE是怎么定义的
(9/1719)
sunyang1988
2011-06-16
2012-03-07 21:49:27
by
sunyang1988
[
Vasp&Me
]
[关贴]
【分享】2010年4月9日科大宏剑培训Medea 2.4 manual
(14/2109)
cenwanglai
2010-04-09
2012-03-07 19:36:03
by
cenwanglai
[
Vasp&Me
]
[已完结]
为什么VASP算出来Gd的磁矩总是偏小?
(
1
2
)
(14/4044)
语逸
2012-03-01
2012-03-07 19:10:06
by
语逸
[
Vasp&Me
]
【求助】求vasp.4.6 安装必备软件
(
1
2
)
(13/2694)
piaoxue001
2010-08-30
2012-03-07 17:17:31
by
月下冰魂
[
Vasp&Me
]
两个原子靠近成键的过程中,系统总能量会不会发生变化?
(3/1369)
egogg
2012-03-07
2012-03-07 16:51:26
by
identation
[
Vasp&Me
]
[已完结]
求SnO2(金红石四方晶体结构)处理k点的syml程序
(评阅-1)
(4/1677)
caesarly
2012-03-07
2012-03-07 16:39:31
by
caesarly
[
Vasp&Me
]
[已完结]
关于Si在Ti-N岛均匀生长建模
(1/376)
zhizhuopaigu
2012-03-07
2012-03-07 15:31:06
by
贺仪
[
Vasp&Me
]
[已完结]
VASP 运行MD的相关问题
(8/1835)
gtssongchi
2011-08-19
2012-03-07 12:42:49
by
wujing110
[
Vasp&Me
]
[已完结]
Mg12ZnY晶体结构
(3/827)
aaa207
2012-03-06
2012-03-07 12:41:35
by
hwceng0816
[
Vasp&Me
]
[已完结]
【求助成功】做表面吸附的同学,请进来看下关于K点的问题....
(5/1399)
gfunction
2011-10-03
2012-03-07 06:56:11
by
HONEY梅宝宝
[
Vasp&Me
]
[已完结]
vasp 运行
(3/271)
xiaoboy185
2012-03-06
2012-03-06 15:40:11
by
wyxhenu
[
Vasp&Me
]
[已完结]
怎样将vasp计算的频率列出来
(7/2167)
duoruimi
2012-03-05
2012-03-06 14:59:13
by
llhhvhnh
[
Vasp&Me
]
[已完结]
麻烦师兄师姐指点一二,谢谢
(7/1109)
lmliu59
2012-03-05
2012-03-06 14:51:52
by
seaso
[
Vasp&Me
]
[已完结]
vasp中force和stress的含义
(1/1885)
lascqy
2012-03-05
2012-03-05 18:56:46
by
fzx2008
[
Vasp&Me
]
[已完结]
结构优化 PBE+U PBE
(2/2430)
tuhaidan
2012-03-04
2012-03-05 17:43:01
by
wujiandongde
[
Vasp&Me
]
[已完结]
vasp考虑自旋轨道耦合后的磁性
(1/776)
小木虫于
2012-03-03
2012-03-05 14:21:48
by
uuv2010
[
Vasp&Me
]
[已完结]
弛豫中间不太好有没有关系?
(3/686)
ffzx
2012-03-03
2012-03-05 11:30:50
by
kmw.8668
[
Vasp&Me
]
[已完结]
求 O和H PW-PBE 和PW91 赝势
(4/1180)
bjmaowei25
2012-03-04
2012-03-05 09:19:26
by
bjmaowei25
[
Vasp&Me
]
[已完结]
lev00安装出现错误……
(4/1536)
thelrgbird
2012-03-03
2012-03-05 08:48:32
by
thelrgbird
[
Vasp&Me
]
[已完结]
菜鸟求教——VASP怎么计算石墨烯的拉曼谱?
(0/262)
AesNaegea
2012-03-04
2012-03-04 22:42:50
by
AesNaegea
[
Vasp&Me
]
[已完结]
VASP结构优化时出现的POTIM问题
(4/3549)
leisy
2012-02-29
2012-03-04 19:44:16
by
thinkllh
[
Vasp&Me
]
[已完结]
EIGENVAL 和 DOSCAR
(3/1089)
xiaoboy185
2012-03-03
2012-03-03 22:13:30
by
uuv2010
[
Vasp&Me
]
[已完结]
为什么我进行Si结构优化的时候只进行了一次离子步的计算?
(9/2175)
发光的橘子
2012-03-02
2012-03-03 14:27:56
by
rex881026
[
Vasp&Me
]
【求助】vasp 源代码怎么学习
(
1
2
)
(12/3170)
yidiandian2703
2010-09-14
2012-03-03 09:54:20
by
uuv2010
[
Vasp&Me
]
[已完结]
vasp.5.2.12计算能带不容易收敛的问题
(1/351)
stewart1922
2012-02-25
2012-03-02 21:49:26
by
uuv2010
[
Vasp&Me
]
[已完结]
如何在vasp中看到计算的berry phase 相位?
(0/432)
gaojin06
2012-03-02
2012-03-02 16:24:04
by
gaojin06
[
Vasp&Me
]
[已完结]
VASP
(6/772)
liuqun
2012-02-25
2012-03-02 10:58:21
by
gougou531
[
Vasp&Me
]
[已完结]
参数ISMEAR的设置
(3/1380)
youzhizhe
2012-03-01
2012-03-02 08:35:01
by
liliangfang
[
Vasp&Me
]
vasp分子动力学NVE,能量出现震荡峰是为什么?
(9/2176)
egogg
2012-02-29
2012-03-01 14:07:13
by
egogg
[
Vasp&Me
]
[已完结]
收敛精度
(7/2672)
bjmaowei25
2012-02-28
2012-03-01 03:29:14
by
bjmaowei25
[
Vasp&Me
]
[已完结]
结构优化 a=b ----> a不等于b
(3/1080)
tuhaidan
2012-02-29
2012-03-01 00:02:38
by
thinkllh
[
Vasp&Me
]
[已完结]
求用第一性原理分子动力学做的paper,VASP,cpmd都可以。学习用~
(0/406)
cenwanglai
2012-02-29
2012-02-29 15:48:39
by
cenwanglai
[
Vasp&Me
]
【求助】vasp计算能带时不需要WAVECAR?
(9/2007)
nkleof
2010-05-10
2012-02-29 10:57:31
by
liujuan8704
[
Vasp&Me
]
[已完结]
关于NELMDL的设置
(3/1260)
xiaoboy185
2012-02-28
2012-02-29 01:42:47
by
DFT+U
[
Vasp&Me
]
[已完结]
关于Cij对单晶与多晶的弹性性能的差异
(2/461)
seek269
2012-02-21
2012-02-28 22:43:19
by
fanarsenal
[
Vasp&Me
]
[已完结]
关于vasp收敛和优化
(
1
2
3
)
(24/3544)
bjmaowei25
2012-02-24
2012-02-28 19:21:27
by
bjmaowei25
[
Vasp&Me
]
[已完结]
如何使用xcrysden软件建立模型
(3/1326)
gougou531
2011-11-21
2012-02-28 15:38:27
by
xiaoyukaka
[
Vasp&Me
]
[已完结]
教教我怎样实现VASP并行计算
(3/2611)
modest
2012-02-28
2012-02-28 14:42:13
by
liliangfang
[
Vasp&Me
]
[已完结]
求助:不同空间群的晶体,在画能带结构时K点绕发的选择依据
(2/387)
daidai~
2012-02-27
2012-02-27 17:59:46
by
daidai~
[
Vasp&Me
]
[已完结]
vasp安装
(4/619)
shmilylxc
2012-02-24
2012-02-27 12:05:54
by
enola
[
Vasp&Me
]
[已完结]
atomic basins 作图方法
(2/238)
FFFd3689
2012-02-27
2012-02-27 11:01:51
by
doudou3689
[
Vasp&Me
]
[已完结]
[关贴]
【求助】谁有VASP 09年更新的Au势啊
(0/202)
guitar2033
2012-02-27
2012-02-27 08:05:07
by
guitar2033
[
Vasp&Me
]
[已完结]
Vasp并行编译出错
(7/1986)
emilyoyang
2012-02-22
2012-02-26 21:32:34
by
量化新手
[
Vasp&Me
]
[已完结]
PBS脚本提交后Error
(
1
2
)
(11/1726)
fanarsenal
2012-02-24
2012-02-26 19:37:00
by
fanarsenal
[
Vasp&Me
]
[已完结]
Xcrysden打开文件出错
(
1
2
)
(11/1910)
butterflyyh
2012-02-25
2012-02-26 17:53:59
by
souledge
[
Vasp&Me
]
[已完结]
弹性常数计算的失败
(2/494)
zhxd1028
2012-02-23
2012-02-25 23:01:53
by
zhxd1028
[
Vasp&Me
]
[已完结]
请教固定吸附位置的优化问题
(1/602)
独唱团
2012-02-24
2012-02-25 10:42:08
by
cavediger
[
Vasp&Me
]
vasp5.2 openmpi+intel+mkl编译,能量正值问题
(7/2404)
chenweiguang
2011-11-16
2012-02-25 07:49:11
by
cavediger
[
Vasp&Me
]
[已完结]
关于第一性原理中的gk.f,pbnd.f,syml等的几个问题
(1/1343)
70576077
2012-02-23
2012-02-24 18:49:18
by
liliangfang
[
Vasp&Me
]
[已完结]
VASP优化不成功,找不到原因
(8/2074)
csjfding
2012-02-23
2012-02-24 18:41:07
by
liliangfang
[
Vasp&Me
]
[已完结]
VASP做分子动力学模拟的时候,CONTCAR文件能不能删除掉修正的部分直接使用?
(3/1657)
egogg
2012-02-23
2012-02-24 18:23:02
by
egogg
[
Vasp&Me
]
[已完结]
关于 murn.x <inp.m>out.m 执行
(4/1407)
bjmaowei25
2012-02-23
2012-02-24 13:03:38
by
fanarsenal
[
Vasp&Me
]
[已完结]
the antiphase boundary (APB) energies
(1/411)
fulin
2012-02-23
2012-02-23 20:08:52
by
iamikaruk
[
Vasp&Me
]
[已完结]
run_a0 运行错误
(2/453)
bjmaowei25
2012-02-23
2012-02-23 09:52:25
by
bjmaowei25
[
Vasp&Me
]
[已完结]
vasp5.2 计算光学性质时的取点密度问题
(1ST强帖+1)
(1/1114)
lascqy
2012-02-22
2012-02-22 21:22:10
by
后天一
[
Vasp&Me
]
[已完结]
Gd/Fe(100)表面体系,LMAXMIX怎么设呢,是6还是4?望各位指点,万分感谢!
(0/1226)
语逸
2012-02-22
2012-02-22 10:11:58
by
语逸
[
Vasp&Me
]
[已完结]
vasp做HSE杂化计算,考虑旋轨耦合,报错
(2/596)
zhaohuxian
2012-02-21
2012-02-22 10:02:36
by
uuv2010
[
Vasp&Me
]
[已完结]
请教如何计算室温下的晶格常数【VASP】
(3/1391)
fliablepig
2012-02-20
2012-02-22 02:54:11
by
fliablepig
[
Vasp&Me
]
[已完结]
常压和高压下N的能量
(3/930)
06022043
2012-02-21
2012-02-21 16:05:28
by
dxcharlary
[
Vasp&Me
]
[已完结]
新人求助 关于VASP计算前验证时的参数设置
(1/254)
xingyexue
2012-02-20
2012-02-21 09:31:40
by
liliangfang
[
Vasp&Me
]
[已完结]
vasp 磁性计算结果的请教
(0/553)
漂浮的萸
2012-02-20
2012-02-20 17:08:04
by
漂浮的萸
[
Vasp&Me
]
[已完结]
关于脚本书写求助
(
1
2
)
(12/1440)
thelrgbird
2012-02-16
2012-02-20 14:58:25
by
贺仪
[
Vasp&Me
]
[已完结]
求教关于vasp中考虑弱相互作用时 LVDW参数的使用
(0/2637)
stewart1922
2012-02-20
2012-02-20 14:39:32
by
stewart1922
[
Vasp&Me
]
[已完结]
求助查晶格结构的网站或资料
(3/1166)
yyzhu027
2012-02-18
2012-02-20 12:35:03
by
souledge
[
Vasp&Me
]
VASP计算Gd-Fe体系U值及加自旋轨道耦合的一些问题
(0/782)
语逸
2012-02-20
2012-02-20 11:54:57
by
语逸
[
Vasp&Me
]
千兆网vasp跨节点并行慢的很,正常吗?
(12/2229)
lzllzl
2012-02-18
2012-02-19 14:00:36
by
sandycug
[
Vasp&Me
]
[已完结]
berry相计算极化时的疑问
(1/277)
mazuju028
2012-02-16
2012-02-19 09:52:58
by
mazuju028
[
Vasp&Me
]
[已完结]
请大神门帮我看看这个错误,在线等待答案
(
1
2
)
(11/1933)
guodonglin
2012-02-16
2012-02-18 21:10:10
by
abinitio1
[
Vasp&Me
]
[已完结]
vasp计算过程非正常断开如何重新开始算
(0/418)
yyzhu027
2012-02-18
2012-02-18 19:49:15
by
yyzhu027
[
Vasp&Me
]
[已完结]
vasp优化难收敛,请大家给我看看
(5/1486)
guodonglin
2012-02-18
2012-02-18 19:44:33
by
WDD880227
[
Vasp&Me
]
[已完结]
急问 现在哪里的计算中心有vasp5.2.12?
(6/1738)
stewart1922
2012-02-18
2012-02-18 17:49:03
by
bluewhale
[
Vasp&Me
]
VASP输入文件的准备工具: vasp scripter
(8/2827)
valenhou001
2012-01-05
2012-02-17 19:53:56
by
gfei2008
[
Vasp&Me
]
[已完结]
vasp总是在写波函数的时候意外退出
(2/552)
byin
2012-02-16
2012-02-17 14:39:33
by
byin
[
Vasp&Me
]
【求助】谁用过vasp 5.2?5.2和4.6的差别在哪里?
(8/2613)
顺水
2009-11-24
2012-02-17 12:27:01
by
techfan
[
Vasp&Me
]
【求助】vasp 加电场时,电场的方向如何定义?谢谢
(2/1390)
sunray55
2010-08-12
2012-02-16 21:24:08
by
hnfdzjy
[
Vasp&Me
]
【求助】弹性不稳定,声子会稳定吗?
(
1
2
)
(18/2150)
lw2252
2010-05-16
2012-02-16 13:38:52
by
encke
[
Vasp&Me
]
[已完结]
麻烦有gotoblas的给发一份,谢!
(3/1644)
lieren3062
2012-02-14
2012-02-15 10:03:35
by
souledge
[
Vasp&Me
]
联合培养或者出来都博士,要求熟练掌握VASP
(7/1893)
tianlangxingaa
2012-01-11
2012-02-14 23:05:38
by
贺仪
[
Vasp&Me
]
【求助】谁能帮忙传一个的gotoblas2
(7/1426)
cpmd
2010-01-07
2012-02-14 21:43:05
by
lieren3062
[
Vasp&Me
]
[已完结]
请问有东南大学王金兰老师课题组的学生么?有问题想请教
(5/2376)
stewart1922
2012-02-10
2012-02-14 21:30:15
by
stewart1922
[
Vasp&Me
]
[已完结]
Si 表面吸附问题
(0/302)
yyzhu027
2012-02-14
2012-02-14 15:49:06
by
yyzhu027
[
Vasp&Me
]
[已完结]
有关晶体常数的审稿意见。
(5/1360)
cenwanglai
2012-02-13
2012-02-13 20:37:29
by
franch
[
Vasp&Me
]
[已完结]
关于vasp能量
(0/192)
xiaoboy185
2012-02-13
2012-02-13 16:32:00
by
xiaoboy185
[
Vasp&Me
]
【分享】vasp2cif.f90 for vasp5.2
(4/1917)
lightgjx
2010-11-30
2012-02-13 10:43:52
by
wujiandongde
[
Vasp&Me
]
[已完结]
请教关于MedeA的问题
(2/324)
hwf70513012
2012-02-12
2012-02-12 18:41:31
by
hwf70513012
[
Vasp&Me
]
[已完结]
vasp选择isif = 3的时候 收敛慢
(2/720)
xiaoboy185
2012-02-10
2012-02-12 16:44:26
by
navyzhang
[
Vasp&Me
]
[已完结]
opnempi安装问题
(3/1151)
shelay
2012-02-11
2012-02-12 12:35:51
by
souledge
[
Vasp&Me
]
[已完结]
HSE06算能带
(7/2701)
crante
2012-02-07
2012-02-11 20:36:41
by
liliangfang
[
Vasp&Me
]
[已完结]
急求VASP中NELECT设置问题?
(2/3198)
gaofenglili
2012-02-10
2012-02-10 16:42:39
by
WDD880227
[
Vasp&Me
]
[已完结]
总能VS纳米线长度,为什么是台阶状的?
(5/995)
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
(2/291)
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
(2/397)
stewart1922
2012-02-03
2012-02-04 14:29:41
by
stewart1922
[
Vasp&Me
]
算表面吸附的ISMEAR和EDIFFG
(1/358)
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?
(4/1815)
fly_elephan
2011-10-26
2012-02-02 08:47:37
by
liu_gang
11436
96/115
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