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热点
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27年申博自荐-能源/环境方向
挹泪的过客
2026-10-26
刚刚
[
Siesta&
]
【分享】siestaz中orderN算法简介。ppt
(12/1489)
dalongmao
2009-04-23
2010-02-06 14:17:00
by
njuxyh
[
Vasp&Me
]
【讨论】用VASP或CASTEP计算NiO能带是否合适?
(评阅+2)
(6/2197)
cos60
2009-08-11
2010-02-06 11:05:24
by
awmc2008
[
Vasp&Me
]
【求助】关于VASP运行
(
1
2
)
(10/933)
含草
2009-06-30
2010-02-06 06:20:50
by
wjhwoods
[
Vasp&Me
]
【讨论】vasp计算DOS
(
1
2
)
(评阅+2)
(14/2849)
xiaojie7783
2009-07-15
2010-02-06 06:16:43
by
wjhwoods
[
Vasp&Me
]
【求助】hands-son3 教程里算Ni100 表面能,图如何画
(6/730)
020080730
2009-07-22
2010-02-06 06:12:42
by
wjhwoods
[
Vasp&Me
]
【求助】p4vasp在Vista操作系统下的安装
19
(6/761)
yiya3528
2009-08-21
2010-02-06 06:02:53
by
wjhwoods
[
Vasp&Me
]
【求助】请教VASP脚本的问题
(6/727)
hdh912
2009-08-29
2010-02-06 05:58:48
by
wjhwoods
[
Vasp&Me
]
【讨论】侯博士的脚本
(8/1226)
子虚乌有5388
2009-09-14
2010-02-06 05:46:39
by
wjhwoods
[
Vasp&Me
]
【求助】VASP如何在单个节点上运行
(7/1045)
longchang
2009-09-16
2010-02-06 05:45:10
by
wjhwoods
[
Vasp&Me
]
【求助】请教ICSD卡片中原子坐标符号意思
3
(2/464)
longmei_cn
2009-09-16
2010-02-06 05:40:48
by
wjhwoods
[
Vasp&Me
]
【求助】关于Linux版本的选择及VASP编译
(7/992)
calos818
2009-09-20
2010-02-06 05:37:19
by
wjhwoods
[
Vasp&Me
]
【求助】关于处理vasp结果的小脚本split_dos 的运行问题
(7/1297)
ron_hai
2009-05-04
2010-02-06 05:36:23
by
wjhwoods
[
Vasp&Me
]
【求助】如何让vasp算出来的fermi能级不在价带顶?
4
(5/1350)
jghe
2009-09-16
2010-02-06 05:29:05
by
wjhwoods
[
Vasp&Me
]
【求助】请教脚本编写和执行的问题
(
1
2
)
(18/1839)
Sassari
2009-09-06
2010-02-06 05:26:21
by
wjhwoods
[
Vasp&Me
]
【求助】WAVECAR能用什么软件读取
(1/264)
hbfxxj
2009-10-02
2010-02-06 05:25:12
by
wjhwoods
[
Vasp&Me
]
【求助】布里渊区的对称点
(7/913)
feiyumeng
2009-09-28
2010-02-06 05:19:40
by
wjhwoods
[
Vasp&Me
]
【求助】如何对应能带计算中的k点和IBZKPT中的k点?
3
(1/443)
405963512
2009-10-06
2010-02-06 05:17:49
by
wjhwoods
[
Vasp&Me
]
【讨论】分子动力学模拟、结构优化、结构弛豫
17
(6/1767)
子虚乌有5388
2009-09-17
2010-02-06 05:16:15
by
wjhwoods
[
Vasp&Me
]
【求助】vasp计算关于poscar及弹性常数
(
1
2
)
(12/1454)
yangfangwi
2009-08-15
2010-02-06 05:15:20
by
wjhwoods
[
Vasp&Me
]
【求助】Vasp运行求助:老是找不到POSCAR
(6/864)
calos818
2009-10-12
2010-02-06 05:11:05
by
wjhwoods
[
Vasp&Me
]
【求助】求表面电子结构分析教程
(1/288)
abcasi
2009-10-11
2010-02-06 05:08:42
by
wjhwoods
[
Vasp&Me
]
【讨论】vasp 计算能带
1
(6/494)
wangzg9292
2009-10-09
2010-02-06 05:07:05
by
wjhwoods
[
Vasp&Me
]
【求助】VASP中Fermi能
(6/743)
cindyzxx
2009-10-09
2010-02-06 05:06:35
by
wjhwoods
[
Vasp&Me
]
【求助】VASP下载
7
(2/827)
linldq
2009-10-13
2010-02-06 04:55:23
by
wjhwoods
[
Vasp&Me
]
【求助】K点设置
3
(1/370)
stractor
2009-10-21
2010-02-06 04:34:27
by
wjhwoods
[
Vasp&Me
]
【原创】招材料计算方向博士后
(
1
2
)
(评阅+3)
(11/1652)
fannyzhou
2009-10-14
2010-02-06 04:30:39
by
wjhwoods
[
Vasp&Me
]
【求助】GGA泛函和赝势哪种比较好
(
1
2
)
(13/1795)
cindyzxx
2009-11-11
2010-02-06 04:05:50
by
Sunnyin
[
Vasp&Me
]
【转帖】[分享] 如何用VASP计算单个原子的能量和能级
(3/1628)
zdhlover
2009-06-26
2010-02-06 03:53:41
by
wjhwoods
[
Vasp&Me
]
【求助】请教vasp.4.4中关于六角晶系中KPOINTS设置的问题
(
1
2
3
)
(20/1931)
wenxuan5788
2009-10-29
2010-02-06 03:51:00
by
wjhwoods
[
QE(Pwsc
]
【其他】有研究电声耦合的虫友吗?
8
(4/853)
watermall
2010-01-15
2010-02-06 03:50:47
by
Sunnyin
[
Vasp&Me
]
【求助】分数作标与笛卡尔坐标是不是这样的?
(6/1080)
yq2240711
2009-11-06
2010-02-06 03:41:21
by
wjhwoods
[
Vasp&Me
]
【求助】请问 eV/f.u.是什么单位?
(7/3655)
wenxuan5788
2009-11-02
2010-02-06 03:38:07
by
wjhwoods
[
Vasp&Me
]
【讨论】如何分析键长
(1/290)
小艾丫丫
2009-11-08
2010-02-06 03:37:32
by
wjhwoods
[
Vasp&Me
]
【讨论】如何计算键长
(
1
2
)
(评阅+1)
(11/2920)
小艾丫丫
2009-11-08
2010-02-06 03:37:12
by
wjhwoods
[
Vasp&Me
]
【求助】某些原子的态密度作图
5
(3/547)
405963512
2009-11-07
2010-02-06 03:36:31
by
wjhwoods
[
Vasp&Me
]
【求助】ZnO nanowire 结构优化c值
(6/857)
ddang100
2009-11-04
2010-02-06 03:30:55
by
wjhwoods
[
Vasp&Me
]
【求助】如何把优化结果输入到MS看k点情况
1
(3/679)
lgn
2009-11-09
2010-02-06 03:29:44
by
wjhwoods
[
Vasp&Me
]
【求助】VASP运行提示? 各位帮我看看,有些疑惑
(5/1690)
calos818
2009-11-10
2010-02-06 03:24:12
by
wjhwoods
[
Vasp&Me
]
【分享】共享一本做氢相关问题的书籍
(37/3168)
limaojlu
2009-12-30
2010-02-06 03:09:32
by
wjhwoods
[
Vasp&Me
]
【求助】vasp算出来的fermi level在带隙中是怎么回事?
(5/856)
blueiker
2009-05-28
2010-02-06 02:58:29
by
wjhwoods
[
Vasp&Me
]
【求助】关于k点问题
(7/858)
lightwlj
2009-12-02
2010-02-06 02:56:16
by
wjhwoods
[
MS
]
【求助】请问怎样将vasp产生的电荷密度文件转化为ms的可视格式?
(6/856)
grass6210
2010-02-03
2010-02-05 23:14:23
by
grass6210
[
MS
]
【求助】MS运行时拒绝的权限,怎么解决?
5
(7/964)
Hello_cl
2010-01-30
2010-02-05 14:02:03
by
我思固我在
[
Vasp&Me
]
【求助】关于CHGCAR
(4/577)
grass6210
2010-02-04
2010-02-05 12:50:05
by
grass6210
[
MS
]
【求助】固溶体的建模问题,严重感谢!!!!!
16
(6/1038)
jdy19862002
2010-02-02
2010-02-05 12:20:23
by
shelay
[
Vasp&Me
]
【求助】如何用Medea画吸附分子的部分态密度图
(2/346)
jun.ren
2009-07-28
2010-02-05 11:35:31
by
hakuna
[
Siesta&
]
【求助】有关自相互作用修正的问题
(0/166)
xiaogai
2010-02-05
2010-02-05 11:07:22
by
xiaogai
[
Vasp&Me
]
【求助】从晶体库坐标到poscar?
(9/1104)
405963512
2009-05-19
2010-02-05 10:58:27
by
405963512
[
MS
]
【求助】关于castep与dmol3计算频率的问题
1
(6/1027)
zhanping
2010-02-03
2010-02-05 08:43:48
by
zhanping
[
Vasp&Me
]
【求助】VASP初学者
(7/1214)
Wanghui6383
2009-06-29
2010-02-05 06:01:18
by
wjhwoods
[
Vasp&Me
]
【求助】【求助】怎么检测VASP计算中的结构和电子(electronic and structural)的收�
(2/355)
liyong.gan
2009-06-14
2010-02-05 05:56:47
by
wjhwoods
[
Vasp&Me
]
【转帖】VASP中sigma参数对磁矩的影响
(2/2197)
zdhlover
2009-06-26
2010-02-05 05:54:55
by
wjhwoods
[
Vasp&Me
]
【求助】10金币 请教 INCAR文件中几个参数的含义
2
(5/879)
longmei_cn
2009-05-25
2010-02-05 05:51:27
by
wjhwoods
[
Vasp&Me
]
【求助】使用SSH如何运行脚本文件?
(3/745)
longchang
2009-04-29
2010-02-05 05:47:01
by
wjhwoods
[
Vasp&Me
]
【求助】分析dos,作图问题
(评阅+1)
(8/1532)
tiantian2921
2009-11-20
2010-02-05 05:20:27
by
wjhwoods
[
Vasp&Me
]
【分享】vasp画能带可视化工具BS4VASP
(18/3148)
mywai520
2009-09-08
2010-02-05 05:15:40
by
wjhwoods
[
Vasp&Me
]
【讨论】第一性原理程序计算晶体缺陷
5
(7/1240)
wwl5213384
2009-11-22
2010-02-05 05:12:11
by
wjhwoods
[
Vasp&Me
]
【求助】求助vasp作图用的小工具
(
1
2
)
(16/1497)
Wanghui6383
2009-07-19
2010-02-05 05:02:16
by
wjhwoods
[
Vasp&Me
]
【求助】请教vasp电荷问题
(2/249)
duoruimi
2009-11-30
2010-02-05 04:57:50
by
wjhwoods
[
Vasp&Me
]
【求助】vasp运行
(
1
2
)
(13/1096)
wangzg9292
2009-11-21
2010-02-05 04:57:09
by
wjhwoods
[
Vasp&Me
]
[资源]VASP新手建议
(35/5143)
y1ding
2009-03-02
2010-02-05 04:50:12
by
wjhwoods
[
Vasp&Me
]
【求助】vasp 赝势
(3/583)
citrine
2009-12-18
2010-02-05 04:49:49
by
wjhwoods
[
Vasp&Me
]
【求助】国内高校或研究所哪做vasp做的比较好的?
12
(3/761)
黄随便
2009-12-07
2010-02-05 04:46:13
by
wjhwoods
[
Vasp&Me
]
【求助】对VASP的输出请教
(6/870)
jarlon
2009-12-15
2010-02-05 04:43:17
by
wjhwoods
[
Vasp&Me
]
【讨论】晶格优化问一问
(
1
2
)
(15/1542)
yangfangwi
2009-10-06
2010-02-05 04:42:25
by
wjhwoods
[
Vasp&Me
]
【求助】如何从算出的E-a数值拟和出晶格常数a0
(
1
2
)
(18/1167)
yq2240711
2009-11-11
2010-02-05 04:41:42
by
wjhwoods
[
Vasp&Me
]
【求助】求助:在linux系统下运行VASP
5
(4/651)
leafting
2009-12-30
2010-02-05 04:38:22
by
wjhwoods
[
Vasp&Me
]
【讨论】vasp计算中如何指定结构的对称性
(12/2187)
ice_rain
2009-12-22
2010-02-05 04:34:51
by
wjhwoods
[
Vasp&Me
]
【求助】用VASP进行团簇计算问题?
(
1
2
)
30
(10/1590)
shchb
2009-12-12
2010-02-05 04:34:32
by
wjhwoods
[
Vasp&Me
]
【求助】请教布里渊区特殊K点的书写
(5/1029)
leoaqu
2010-01-04
2010-02-05 04:33:25
by
wjhwoods
[
Vasp&Me
]
【分享】元素周期表
(17/1962)
wo8165827
2009-12-29
2010-02-05 04:30:46
by
wjhwoods
[
Vasp&Me
]
【求助】VASP的安装问题
(
1
2
)
(11/1053)
王和禹
2010-01-01
2010-02-05 04:29:56
by
wjhwoods
[
Vasp&Me
]
【求助】vasp 计算单个原子的能量
(6/1217)
qkzh3091
2010-01-21
2010-02-05 04:29:14
by
wjhwoods
[
Vasp&Me
]
【求助】VASP中 原子能级问题
(
1
2
)
4
(11/1562)
阿勇
2010-01-11
2010-02-05 04:04:09
by
wjhwoods
[
Vasp&Me
]
【分享】VASP编译命令
(+3)
(7/1679)
qnsyhanjiu
2010-01-09
2010-02-05 04:02:14
by
wjhwoods
[
Vasp&Me
]
【求助】如何计算但原子的能量
(6/685)
hbl626
2010-01-11
2010-02-05 04:00:39
by
wjhwoods
[
Vasp&Me
]
【求助】vasp运行命令文件
(4/937)
longchang
2010-01-09
2010-02-05 03:59:05
by
wjhwoods
[
Vasp&Me
]
【求助】kpoints测试
1
(5/624)
405963512
2010-02-04
2010-02-05 03:40:38
by
wjhwoods
[
Siesta&
]
【求助】how to calculate system energy?
(4/460)
xli6
2010-02-03
2010-02-05 02:15:20
by
xli6
[
其他
]
【求助】E5520八颗在windows serve 2003下显示16颗?
(7/564)
loovfnd
2010-02-03
2010-02-04 21:19:14
by
zhxd1028
[
Vasp&Me
]
【其他】Dell R710服务器系统
(1/192)
bearpow
2010-02-04
2010-02-04 21:10:26
by
y1ding
[
MS
]
【求助】如何计算ionic charge and the Mulliken charge
(1/344)
imunbg
2010-01-19
2010-02-04 20:11:26
by
mouse3511
[
MS
]
【求助】金属离子吸附磷酸根离子的建模问题
5
(0/250)
ruifeng
2010-02-04
2010-02-04 12:53:03
by
ruifeng
[
Vasp&Me
]
【求助】请教收敛的问题
15
(1/224)
liumiao05
2010-02-04
2010-02-04 11:25:12
by
405963512
[
MS
]
【求助】并行计算 过渡态 描述势垒
4
(2/269)
爱惜花草
2010-02-03
2010-02-04 08:25:42
by
爱惜花草
[
其他
]
精华
I
:
【分享】08年新书免费下载Computational physics of carbon nanotubes
(
1
2
)
(76/6640)
redskywei
2009-10-23
2010-02-04 07:39:27
by
index2008
[
Vasp&Me
]
【求助】encut收敛测试精确度不够
(5/774)
405963512
2010-02-03
2010-02-04 00:36:50
by
liumiao05
[
Wien2k&
]
【讨论】有谁到上海超算用过WIEN2K计算吗
(
1
2
3
)
(29/2224)
benzscu
2009-09-08
2010-02-03 19:07:14
by
yankai131
[
Vasp&Me
]
【求助】vasp如何建模?
(金币≥1)
(6/132)
405963512
2009-05-19
2010-02-03 17:53:33
by
calos818
【求助】materialsStudio在哪里下载?用中文手册吗?
(5/850)
yu10230612
2009-06-20
2010-02-03 16:23:31
by
liuxianlv
[
Wien2k&
]
【求助】2p和4d轨道电子 LDA+U的设置
(2/871)
yuxc
2010-02-01
2010-02-03 13:08:47
by
gzqdyouxia
[
MS
]
【求助】关于含有氧空位的掺杂优化疑问
1
(4/515)
jdy19862002
2010-01-30
2010-02-03 10:13:20
by
6314258liu
[
MS
]
【求助】potentials表示意义
(2/212)
cosmicking
2010-02-02
2010-02-02 21:00:39
by
cosmicking
[
MS
]
【求助】linux下的ms出错了
2
(5/724)
franch
2010-01-23
2010-02-02 20:25:18
by
lono75
[
其他
]
【求助】linux 的group文件怎么修改
3
(0/124)
franch
2010-02-02
2010-02-02 19:10:46
by
franch
[
Abinit
]
【求助】abinit 5.8.4 for linux 的安装
(3/426)
学员nCkc5W
2010-02-02
2010-02-02 16:46:31
by
lono75
[
MS
]
【求助】准谐德拜模型的适用范围
14
(4/792)
leillei
2010-01-27
2010-02-02 16:06:29
by
qgqgrm
[
Vasp&Me
]
【讨论】vasp中NEB计算离子驰豫太慢了,怎么提高速度?
(7/1200)
huijiany
2009-10-28
2010-02-02 14:46:50
by
liyong.gan
[
Vasp&Me
]
【求助】vasp能带计算不下来
3
(8/932)
405963512
2010-01-30
2010-02-02 14:39:29
by
405963512
[
Vasp&Me
]
【求助】vasp 编译出错,请大家帮忙
(8/1125)
405963512
2010-01-19
2010-02-02 14:33:38
by
lono75
9051
12/91
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