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[
热点
]
290求调剂
材料专硕调剂;
2026-02-28
刚刚
[
Vasp&Me
]
lev00 画图老出现问题,错在哪了?
(9/1636)
kmw.8668
2011-09-21
2011-09-23 08:19:37
by
bingmou
[
Vasp&Me
]
表面上一个氧分子的生命历程
(评阅+2)
(8/905)
cavediger
2011-05-18
2011-09-22 22:49:59
by
cenwanglai
[
Vasp&Me
]
[已完结]
求助:ENCUT值验证选不出合适的取值!!
(1/320)
daidai~
2011-09-22
2011-09-22 15:56:50
by
leehb870605
[
Vasp&Me
]
[已完结]
集群上运算出错
(2/317)
fengshiquan
2011-09-20
2011-09-22 14:57:01
by
fengshiquan
[
Vasp&Me
]
计算空位能
(11/1586)
fengshiquan
2011-06-21
2011-09-22 10:42:43
by
fengshiquan
[
Vasp&Me
]
[已完结]
麻烦各位帮忙看看是否为出错信息!!
(2/299)
daidai~
2011-09-20
2011-09-21 14:44:04
by
daidai~
[
Vasp&Me
]
[已完结]
如何计算不同压力下(0~30GPa)氢分子的能量
(1/643)
xiaoqiu007
2011-04-19
2011-09-21 12:39:17
by
yinwei_li
[
Vasp&Me
]
【求助】xftp不能运行
(2/698)
bird007
2011-04-04
2011-09-20 22:58:51
by
bird007
[
Vasp&Me
]
【求助】NEB算鞍点 过渡态
(
1
2
)
(12/2220)
chuchu6816
2010-05-28
2011-09-20 22:40:08
by
wujing110
[
Vasp&Me
]
[已完结]
VASP进程僵死,有人遇到过没有?
(5/948)
dyc_2008
2011-09-19
2011-09-20 18:00:21
by
windring
[
Vasp&Me
]
[已完结]
谁做过224个LiFePO的弛豫啊。。。求救
(6/1258)
wujing110
2011-09-19
2011-09-20 14:40:09
by
wujing110
[
Vasp&Me
]
[已完结]
vasp动力学模拟怎么看结果呢
(0/201)
xiaoxiao136
2011-09-20
2011-09-20 14:37:55
by
xiaoxiao136
[
Vasp&Me
]
请问FFT-Grid的位置
(2/696)
byin
2011-09-18
2011-09-20 09:00:33
by
byin
[
Vasp&Me
]
[已完结]
为什么画出的对关联函数第三峰刚开始,之后的函数值就全变为零了,怎么解决这个问题
(5/1025)
正月圆月
2011-09-17
2011-09-20 07:46:42
by
gtssongchi
[
Vasp&Me
]
[已完结]
NEB中原子越过周期性边界的问题
(2/685)
vodka
2011-09-18
2011-09-20 05:27:22
by
bingmou
[
Vasp&Me
]
[已完结]
如何计算判断材料的透明度
(评阅+1)
(6/858)
TIGERYZZ
2011-06-27
2011-09-19 11:18:38
by
buct2010
[
Vasp&Me
]
[已完结]
急求MnPt的B2相的晶格参数
(1/198)
wangla
2011-09-18
2011-09-19 06:46:01
by
valenhou001
[
Vasp&Me
]
[已完结]
倒空间坐标和实空间坐标怎么转换
(6/3737)
学员UKbkc5
2011-09-15
2011-09-17 15:12:34
by
souledge
[
Vasp&Me
]
[已完结]
请教vasp计算能带的几个问题
(1/390)
yshl7237
2011-09-16
2011-09-17 09:38:41
by
uuv2010
[
Vasp&Me
]
[已完结]
vasp 中能用 GW算能带吗?
(1ST强帖+1)
(7/1626)
yshl7237
2011-05-24
2011-09-16 22:45:26
by
lfzlpd
[
Vasp&Me
]
[已完结]
VASP error求助!
(3/1396)
langren24
2011-09-09
2011-09-16 20:15:07
by
06022043
[
Vasp&Me
]
[已完结]
VASP表面驰豫真空层设置
(9/2802)
leehb870605
2011-09-15
2011-09-16 19:38:49
by
leehb870605
[
Vasp&Me
]
精华
I
:
【原创】好消息:可视化VASP的分子轨道的转换程序vaspmo
(
1
2
3
)
(+4)
(评阅+5)
(21/5667)
neweroica
2010-01-25
2011-09-16 16:54:56
by
liujuan8704
[
Vasp&Me
]
[已完结]
用GotoBLAS2编译VASP成功,换成mkl的BLAS则编译失败
(3/803)
freewain
2011-09-15
2011-09-16 12:19:49
by
freewain
[
Vasp&Me
]
[已完结]
能带能量与体系平均势能的联系
(0/632)
enola
2011-09-16
2011-09-16 10:27:59
by
enola
[
Vasp&Me
]
[已完结]
VMD 导入CHGCAR出现问题
(4/1013)
韩D小希
2011-09-14
2011-09-16 08:19:27
by
韩D小希
[
Vasp&Me
]
[已完结]
VASP如何计算某一能级对应的波函数
(2/947)
韩D小希
2011-09-15
2011-09-16 08:18:45
by
韩D小希
[
Vasp&Me
]
[已完结]
VASP驰豫自动停止问题。。
(9/2151)
leehb870605
2011-09-08
2011-09-15 19:52:40
by
leehb870605
[
Vasp&Me
]
[已完结]
求vaspview安装包
(2/462)
thelrgbird
2011-09-14
2011-09-15 12:22:08
by
youzhizhe
[
Vasp&Me
]
[已完结]
VASP编译过程中的CPP参数
(4/793)
lascqy
2011-09-13
2011-09-15 08:54:31
by
锐利的碎片
[
Vasp&Me
]
[已完结]
vasp程序阅读
(5/570)
困龙
2011-09-14
2011-09-14 22:17:18
by
uuv2010
[
Vasp&Me
]
这是一种什麽样的计算方法?
(4/651)
kmw.8668
2011-08-30
2011-09-14 09:51:01
by
dxcharlary
[
Vasp&Me
]
[已完结]
vasp计算:优化能收敛,但同样的设置静态计算不收敛
(3/2641)
gougou531
2011-09-13
2011-09-14 09:28:32
by
haowenping
[
Vasp&Me
]
[已完结]
内层电子缺失如何计算形成能啊??
(1/310)
大瑶Alice
2011-09-13
2011-09-13 21:14:37
by
hakuna
[
Vasp&Me
]
[已完结]
晶格常数优化
(7/2369)
enola
2011-09-12
2011-09-13 15:09:25
by
enola
[
Vasp&Me
]
[已完结]
如何查看服务器vasp是不是并行编译的?
(2/660)
yk2425
2011-09-13
2011-09-13 14:08:48
by
enola
[
Vasp&Me
]
[已完结]
[关贴]
这样的结构图是什么软件画的
(3/1547)
guitar2033
2011-09-13
2011-09-13 14:05:20
by
enola
[
Vasp&Me
]
[已完结]
晶格格式
(2/246)
lucyyyh
2011-09-11
2011-09-13 09:30:01
by
锐利的碎片
[
Vasp&Me
]
晶格常数和能量是这种形式?
(3/1198)
pgi1706
2011-09-08
2011-09-10 21:41:01
by
pgi1706
[
Vasp&Me
]
[已完结]
如何用VASP计算表面缺陷
(4/1804)
laplacetalor
2011-09-09
2011-09-10 18:39:52
by
uuv2010
[
Vasp&Me
]
[已完结]
CH4在Ir(111)表面的解离吸附过渡态计算:Henkelman的PRL文章
(
1
2
)
(评阅+2)
(10/4392)
cenwanglai
2011-08-20
2011-09-10 17:10:03
by
hakuna
[
Vasp&Me
]
[已完结]
Vesta图中,部分原子的大小或颜色怎么变
(5/9864)
285058420
2011-09-08
2011-09-09 09:34:56
by
贺仪
[
Vasp&Me
]
[已完结]
VASP画能带时非自洽计算的KPOINTS怎么得到?
(5/2714)
韩D小希
2011-08-26
2011-09-09 07:47:00
by
utdwang
[
Vasp&Me
]
[已完结]
求助,谁有fsshclient.exe使用教程啊?
(0/302)
tianman
2011-09-08
2011-09-08 20:56:03
by
tianman
[
Vasp&Me
]
[已完结]
在vasp官方论坛看到一段如下代码,不知道如何使用,请各位指教
(5/1360)
信任开花
2011-09-07
2011-09-08 12:43:25
by
信任开花
[
Vasp&Me
]
[已完结]
VASP导致异常导致电脑重启,请教达人?
(6/2035)
dyc_2008
2011-09-05
2011-09-07 22:45:20
by
顺水
[
Vasp&Me
]
第一性原理活动
(9/1610)
胡同学
2011-09-06
2011-09-07 18:27:31
by
bbhuang
[
Vasp&Me
]
[已完结]
Medea Vasp安装完后,提交任务,但任务根本没有被计算,求教原因。
(1/570)
landian666
2011-09-07
2011-09-07 16:56:53
by
后天一
[
Vasp&Me
]
[已完结]
如何求H2的bingding energy
(2/718)
215215
2011-09-06
2011-09-07 13:53:51
by
lfhuang
[
Vasp&Me
]
[已完结]
不等价掺杂里面有什么特别的问题要注意 吗?
(4/1303)
liuhuimeiwoo
2011-09-06
2011-09-07 09:33:01
by
liuhuimeiwoo
[
Vasp&Me
]
[已完结]
[关贴]
不知哪位还在使用vasp.4.31版本,不知能否发给我一份,非常感谢!
(4/763)
信任开花
2011-09-06
2011-09-06 17:42:20
by
burwoad
[
Vasp&Me
]
[已完结]
BRION应该选几呢?
(
1
2
)
(10/1253)
Gina88
2011-08-31
2011-09-06 14:03:02
by
Gina88
[
Vasp&Me
]
[已完结]
请教——计算的电介质与金属功函数差偏大
(0/359)
issac998
2011-09-05
2011-09-05 15:11:12
by
issac998
[
Vasp&Me
]
[已完结]
vasp结构优化时出现问题 大家帮忙解决下吧
(3/980)
韩D小希
2011-08-30
2011-09-05 08:33:42
by
韩D小希
[
Vasp&Me
]
[已完结]
用vasp做分子结构的优化,为什么不能执行计算?
(2/833)
liuyan8611
2011-09-04
2011-09-04 20:29:34
by
后天一
[
Vasp&Me
]
[已完结]
vasp 在parallel 3dFFT wavefunction 后死掉
(1ST强帖+1)
(4/2830)
csi505
2011-09-02
2011-09-04 20:21:45
by
后天一
[
Vasp&Me
]
[已完结]
spin-orbit怎么用啊?
(6/1809)
langren24
2011-08-29
2011-09-04 17:16:34
by
langren24
[
Vasp&Me
]
[已完结]
请教 相似的晶体结构怎么利用第一性原理讨论他们的关联性?
(0/149)
lizhiyi1017
2011-09-04
2011-09-04 15:16:40
by
lizhiyi1017
[
Vasp&Me
]
[已完结]
vasp 并行运算出错
(8/1604)
gjh123
2011-09-02
2011-09-04 08:24:31
by
liliangfang
[
Vasp&Me
]
[已完结]
VASP计算失败求助!
(8/1605)
langren24
2011-09-01
2011-09-03 21:23:58
by
akakcolin
[
Vasp&Me
]
[已完结]
vasp计算非线性磁矩
(1/2678)
dhc198611
2011-09-03
2011-09-03 16:19:53
by
langren24
[
Vasp&Me
]
[已完结]
VASP计算
(4/1025)
zxgxbh2008
2011-09-02
2011-09-03 09:43:17
by
liliangfang
[
Vasp&Me
]
[已完结]
[关贴]
求助怎么用ELFCAR的数据作图如何作图?
(1/903)
rik203
2011-09-02
2011-09-02 20:14:53
by
贺仪
[
Vasp&Me
]
[已完结]
请大侠帮看一下74个原子ENCUT测试应该选哪个值?
(9/1404)
Gina88
2011-08-31
2011-09-02 13:37:51
by
Gina88
[
Vasp&Me
]
【其他】vasp_band.exe处理的数据怎么最后不一样啊?
(1ST强帖+1)
(15/3190)
Gina88
2011-04-04
2011-09-02 10:50:31
by
guolianshun
[
Vasp&Me
]
[已完结]
vasp求助! vasp计算电荷密度差,DOS,能带
(0/369)
xiehui0608
2011-09-02
2011-09-02 10:48:50
by
xiehui0608
[
Vasp&Me
]
[已完结]
重金求VASP 5.2 GW计算过程
(3/947)
子虚乌有5388
2011-09-01
2011-09-02 10:36:53
by
后天一
[
Vasp&Me
]
[已完结]
高分求助有关band alignment
(2/2450)
xiaojie7783
2011-08-29
2011-08-31 21:46:03
by
cenwanglai
[
Vasp&Me
]
请问大家计算能带时KPOINTS是怎么设置的
(0/1002)
Tea_Candy
2011-08-31
2011-08-31 17:26:03
by
Tea_Candy
[
Vasp&Me
]
【求助】差分电荷密度如何画?
(3/1063)
020080730
2010-06-01
2011-08-31 07:32:16
by
bird007
[
Vasp&Me
]
【求助】求证晶格常数的优化
(
1
2
)
(15/2811)
lugang911
2010-06-21
2011-08-31 07:31:51
by
bird007
[
Vasp&Me
]
【求助】请教利用VASP如何计算某种结构的ZPE
(6/2270)
tssunrise
2010-07-07
2011-08-31 07:27:57
by
bird007
[
Vasp&Me
]
[已完结]
请教介电函数
(4/1138)
liliangfang
2011-08-28
2011-08-30 16:09:43
by
liliangfang
[
Vasp&Me
]
[已完结]
vesta CHGCAR CHG 单位
(1/1138)
zhaohuxian
2011-08-30
2011-08-30 15:25:26
by
gavinliu7390
[
Vasp&Me
]
[已完结]
vasp计算时如果考虑自选耦合
(2/637)
shenjinni
2011-08-30
2011-08-30 15:01:04
by
liliangfang
[
Vasp&Me
]
[已完结]
吸附在不同的位置,能量却都一样,这是怎末回事?
(
1
2
)
(评阅-7)
(13/1260)
kmw.8668
2011-08-27
2011-08-30 11:16:01
by
kmw.8668
[
Vasp&Me
]
[已完结]
1*2*1超胞 优化了3个星期还没有收敛,怎么回事?大家有碰到类似的吗?
(3/1007)
mengnan0501
2011-08-29
2011-08-29 16:36:01
by
buct2010
[
Vasp&Me
]
[已完结]
请教VASP的INCAR设置是否一定要设置PREC=Accurate?
(4/4025)
04nylxb
2011-08-28
2011-08-29 14:24:19
by
mengnan0501
[
Vasp&Me
]
体系总能量与结构
(2/1176)
enola
2011-06-10
2011-08-29 11:02:49
by
s20080718
[
Vasp&Me
]
[已完结]
如何从windows系统向linux系统传送文件
(
1
2
)
(14/1819)
韩D小希
2011-08-22
2011-08-29 08:58:14
by
韩D小希
[
Vasp&Me
]
[已完结]
neb设置8个,只算了一个点?
(1/228)
哥是传说
2011-08-28
2011-08-29 08:52:07
by
哥是传说
[
Vasp&Me
]
【求助】关于K点测试
(
1
2
)
(13/1451)
lgxyz
2010-11-18
2011-08-28 21:40:36
by
dingniu2
[
Vasp&Me
]
[已完结]
帮忙将Al2O3的.cell转换成5.2的POSCAR的格式
(
1
2
)
(10/1593)
crante
2011-08-15
2011-08-28 08:32:09
by
taijifeng
[
Vasp&Me
]
[已完结]
求助:vasp中设置交换关联函数。
(1/836)
fangyongxinxi
2011-08-22
2011-08-27 10:59:25
by
buct2010
[
Vasp&Me
]
【求助】能带结构的计算的求助
(
1
2
)
(10/2668)
tsy3602
2010-04-15
2011-08-27 10:16:34
by
韩D小希
[
Vasp&Me
]
[已完结]
请教一下NELMDL和ADDGRID的用法
(1/3689)
xu31658
2011-08-25
2011-08-26 15:09:17
by
zhxd1028
[
Vasp&Me
]
[已完结]
一个灰常灰常简单的问题——Berry phase 计算极化,结果是以什么坐标给出的?
(3/1098)
donggaomin
2011-07-30
2011-08-26 13:42:18
by
dhc198611
[
Vasp&Me
]
[已完结]
vasp计算中出现的问题
(0/311)
viebn
2011-08-25
2011-08-25 16:15:36
by
viebn
[
Vasp&Me
]
【求助】关于VASP 加电场的问题(送金币)
(4/1528)
gjh123
2010-11-10
2011-08-25 14:49:32
by
gjh123
[
Vasp&Me
]
[已完结]
IBRION = 5
(5/1774)
4010808
2011-08-21
2011-08-24 12:33:35
by
cenwanglai
[
Vasp&Me
]
NEB寻找过渡态,OSZICAR文件中输出能量差异
(3/837)
tfl03
2011-08-16
2011-08-23 20:37:24
by
fengangelo
[
Vasp&Me
]
[已完结]
求助:如何设定vasp中交换势
(5/1246)
fangyongxinxi
2011-08-23
2011-08-23 19:30:07
by
iamikaruk
[
Vasp&Me
]
[已完结]
有关化学势
(1/557)
chuyong
2011-08-22
2011-08-23 11:07:41
by
ahu1221
[
Vasp&Me
]
[已完结]
vasp 中超原胞K点设置
(2/1198)
fangyongxinxi
2011-06-14
2011-08-23 10:54:31
by
zdsk
[
Vasp&Me
]
[已完结]
slab表面小分子反应,如何验算过渡态的虚频?
(5/1254)
cenwanglai
2011-08-16
2011-08-23 10:46:35
by
lgxyz
[
Vasp&Me
]
[已完结]
物理吸附-化学吸附-解离吸附转变及过渡态ZPE修正
(2/2745)
cenwanglai
2011-08-21
2011-08-22 14:07:41
by
cenwanglai
[
Vasp&Me
]
[已完结]
电子组态的计算(价电子跑哪里去呢?)
(
1
2
)
(10/1762)
Rosk
2011-08-20
2011-08-22 08:27:03
by
Rosk
[
Vasp&Me
]
[已完结]
请教,计算O在某种氧化物的表面扩散激活能为2.5-3.0eV,是不是太大了?
(3/1854)
tfl03
2011-08-20
2011-08-20 17:38:47
by
cenwanglai
[
Vasp&Me
]
[已完结]
静态计算
(8/517)
zxgxbh2008
2011-08-18
2011-08-20 09:44:31
by
buct2010
[
Vasp&Me
]
[已完结]
dimer方法中虚频的方向的物理意义是什么?
(1/1111)
cenwanglai
2011-08-18
2011-08-19 22:03:26
by
dxcharlary
11436
101/115
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