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Vasp&MedeA
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热点
]
国家基金申请书模板内插入图片不可调整大小?
kingkocxr
2026-02-03
刚刚
[
Vasp&Me
]
【求助】vasp的chgcar用vmd打开的isosurface颜色调整问题
(0/1230)
小木虫于
2011-03-14
2011-03-14 17:17:13
by
小木虫于
[
Vasp&Me
]
【求助】p4vasp软件
(3/863)
学员CkImlJ
2011-01-20
2011-03-14 15:18:51
by
luding861011
[
Vasp&Me
]
【求助】如何确定U值大小
(6/1235)
hexx621
2011-02-14
2011-03-14 10:47:54
by
hexx621
[
Vasp&Me
]
【讨论】什么是赝势?为什么用赝势?
(
1
2
)
(18/6369)
calos818
2009-10-27
2011-03-13 21:09:22
by
zzubkff
[
Vasp&Me
]
[关贴]
【转】NGX,NGY,NGZ?
(3/5639)
Gina88
2011-03-10
2011-03-11 09:50:13
by
贺仪
[
Vasp&Me
]
【求助成功】lev00安装问题
(2/650)
Me卓
2011-03-10
2011-03-11 08:53:27
by
Me卓
[
Vasp&Me
]
【求助】用hse方法计算体系能带的实例
(1/1488)
wuli8
2011-03-11
2011-03-11 02:34:47
by
ice_rain
[
Vasp&Me
]
[关贴]
【求助】关于投稿的问题
(1/349)
chiqiong
2011-03-09
2011-03-09 19:57:32
by
qscao
[
Vasp&Me
]
【求助】非立方施加压力的结构优化!
(7/1534)
shxincui518
2009-01-14
2011-03-09 10:17:39
by
calos818
[
Vasp&Me
]
【求助】关于发表文章
(1/239)
chiqiong
2011-03-08
2011-03-08 23:38:30
by
sunyang1988
[
Vasp&Me
]
【求助】关于表面的计算
(4/597)
gtssongchi
2011-03-08
2011-03-08 21:00:05
by
gtssongchi
[
Vasp&Me
]
【求助】对晶体结构驰豫优化,dE出现波动,正常吗?
(0/203)
xiaowu787
2011-03-08
2011-03-08 08:42:30
by
xiaowu787
[
Vasp&Me
]
【求助】vasp 算态密度的一个疑惑
(3/966)
txf8378
2011-03-04
2011-03-05 21:57:56
by
sunyang1988
[
Vasp&Me
]
【求助】求USPP-LDA赝势文件potcar(VASP)
(0/540)
liushaking
2011-03-05
2011-03-05 10:38:05
by
liushaking
[
Vasp&Me
]
【求助】如何计算层错能?
(1/2987)
dyc_2008
2010-12-27
2011-03-05 10:11:05
by
gaods101@163
[
Vasp&Me
]
【求助】使用Phonopy结合Vasp计算声子,对于六角格子(R-3m)如何建立超晶胞
(0/471)
sagiterszk
2011-03-04
2011-03-04 16:41:52
by
sagiterszk
[
Vasp&Me
]
【求助】结构优化之后的静态自洽计算
(
1
2
)
(12/3607)
缺心眼桌
2011-02-28
2011-03-04 11:08:38
by
bingmou
[
Vasp&Me
]
【求助】能带结构和态密度不对应为什么?
(3/1019)
ddang100
2011-03-03
2011-03-03 22:21:16
by
bingmou
[
Vasp&Me
]
【求助】K-S 方程的迭代解法
(10/1686)
ss_kampf
2011-03-02
2011-03-03 09:00:19
by
bingmou
[
Vasp&Me
]
【求助】用第一原理可以计算晶粒尺寸与强度的定量关系吗?
(1/163)
zhanganping
2011-03-01
2011-03-02 17:19:50
by
wutianhuan
[
Vasp&Me
]
【求助】怎么用晶胞和原子坐标等信息写POSCAR
(
1
2
3
4
)
(38/2675)
zugulitang
2011-02-25
2011-03-02 14:26:59
by
feng.ustc
[
Vasp&Me
]
【求助】为什么运行vasp机器卡的厉害
(10/1662)
gaods101@163
2011-02-28
2011-03-02 08:42:58
by
gaods101@163
[
Vasp&Me
]
【求助】问大伙一个名词
(1/210)
wanglei200
2011-02-28
2011-02-28 16:33:53
by
putian
[
Vasp&Me
]
【求助】谁能帮我解释一下NBANDS如何设定的
(2/1055)
gloomy2004
2011-02-26
2011-02-28 09:07:33
by
enola
[
Vasp&Me
]
【求助】为什么两次优化第一次收敛,同样的条件第二次不收敛?
(6/1239)
swx0789
2011-02-26
2011-02-27 16:10:58
by
贺仪
[
Vasp&Me
]
【求助】服务器上VASP计算的问题
(2/386)
拓海1627
2011-02-26
2011-02-26 18:19:50
by
拓海1627
[
Vasp&Me
]
【求助】在哪里看Hellmann-Feynman stress?
(10/1953)
hiyangyue
2011-02-16
2011-02-25 23:36:38
by
valenhou001
[
Vasp&Me
]
【求助】第一性原理软件能做NPT系宗分子动力学模拟的原件有哪些?
(8/1877)
jsheng5059
2011-02-23
2011-02-25 14:48:59
by
gavinliu7390
[
Vasp&Me
]
计算模拟区期刊RCS征VASP相关稿件,欢迎投稿-重奖。。
(4/1217)
fegg7502
2010-12-07
2011-02-25 12:22:41
by
cenwanglai
[
Vasp&Me
]
【求助】那位大侠可以帮我跑两个计算嘛?
(1/239)
enola
2011-02-24
2011-02-24 15:29:44
by
valenhou001
[
Vasp&Me
]
【求助】HCP密排六方的POSCAR怎么写啊?
(1/981)
dyc_2008
2011-02-24
2011-02-24 15:18:00
by
valenhou001
[
Vasp&Me
]
【求助】单机多核并行VASP,如何编译?
(5/2193)
yankai131
2011-02-21
2011-02-24 00:23:06
by
bluewhale
[
Vasp&Me
]
【求助】这个名词怎么翻译好呢
(1/269)
wanglei200
2011-02-23
2011-02-23 21:08:14
by
zzy870720z
[
Vasp&Me
]
【求助】能带结构中Gamma点的特征是怎么求出来的?
(3/1891)
veryman
2011-02-21
2011-02-23 16:00:14
by
valenhou001
[
Vasp&Me
]
【求助】谁用过ASE调用vasp神马的?
(1/996)
ikea1984
2011-02-23
2011-02-23 12:39:58
by
锐利的碎片
[
Vasp&Me
]
【求助】vasp在进行磁性的计算遇到一个问题
(6/1129)
nww346
2011-02-21
2011-02-23 08:34:34
by
含草
[
Vasp&Me
]
【求助】VASP做从头算分子动力学模拟机器配置问题
(2/1091)
gzhao1980
2011-02-19
2011-02-22 15:12:03
by
freer007
[
Vasp&Me
]
【求助】GGA近似为何会高估晶格常数?(要具体回答)
(2/1002)
zzy1123
2011-02-22
2011-02-22 14:17:52
by
fanchen021
[
Vasp&Me
]
【求助】vasp结构优化时k-mesh选择
(9/1831)
小木虫于
2011-02-15
2011-02-21 11:28:43
by
yujiemanbu
[
Vasp&Me
]
【求助】利用VASP计算钙钛矿型氧化物
(3/592)
1028jl
2011-02-18
2011-02-21 11:05:37
by
bingmou
[
Vasp&Me
]
【求助】纯Li的各种结构数据(cif文件的)
(金币≥5)
(2/45)
wanqixin1982
2011-02-18
2011-02-19 08:59:04
by
zzy870720z
[
Vasp&Me
]
【求助】如何计算应变对应的应力值
(5/2477)
hiyangyue
2011-02-15
2011-02-17 16:41:07
by
sars518
[
Vasp&Me
]
【求助】如何设置 pseudo hydrogen
(2/305)
skyscorpioa
2011-02-16
2011-02-17 00:08:46
by
skyscorpioa
[
Vasp&Me
]
【求助】vasp编译问题,请自己动手安装成功的人回复!
(9/2874)
taijifeng
2011-01-16
2011-02-16 20:19:15
by
ellsaking
[
Vasp&Me
]
【求助】关于GW计算
(0/292)
vboyz
2011-02-15
2011-02-15 21:24:55
by
vboyz
[
Vasp&Me
]
【求助】优化如何用ISART=3 full restart?
(0/616)
xiaotianzhou
2011-02-15
2011-02-15 15:15:59
by
xiaotianzhou
[
Vasp&Me
]
【求助】NEB计算outcar中无各个镜像的能量输出
(6/1271)
manuphy
2011-02-08
2011-02-13 10:58:57
by
魔男小崔
[
Vasp&Me
]
【求助】“练习计算AGS能带及态密度及光学性质全过程”中的下载链接好像失效了
(1/278)
happytoko
2011-02-10
2011-02-11 15:37:27
by
happytoko
[
Vasp&Me
]
【求助】怎么看分波态密度呢
(5/2303)
ustbwgs
2010-12-06
2011-02-09 00:19:10
by
zxg_far
[
Vasp&Me
]
【求助】VASP计算中U怎么加
(3/931)
hexx621
2011-02-06
2011-02-08 22:59:51
by
happytoko
[
Vasp&Me
]
【求助】VASP计算出错--新年第一帖
(1/668)
enola
2011-02-06
2011-02-08 13:41:59
by
enola
[
Vasp&Me
]
【求助】SAT剪刀算符如何设置
(0/593)
happytoko
2011-02-06
2011-02-06 20:46:22
by
happytoko
[
Vasp&Me
]
【求助】用berry phase计算铁电材料的electric polarization
(2/864)
fliablepig
2011-01-31
2011-02-06 09:33:37
by
valenhou001
[
Vasp&Me
]
【求助】Band Structure calculation using Hybrid Functional
(1/1038)
B.C.Wang
2011-02-05
2011-02-06 09:25:23
by
valenhou001
[
Vasp&Me
]
【求助】大家是怎么看待PDOS的?
(16/1698)
jugengfans
2011-01-23
2011-02-03 04:01:19
by
jugengfans
[
Vasp&Me
]
【求助】VASP高对称点设置时C坐标与R坐标可以互相转化吗?
(2/427)
夕阳西下
2011-01-29
2011-01-30 23:30:34
by
phy-liwei
[
Vasp&Me
]
【求助】vasp运行停止,不知什么原因
(评阅+1)
(2/599)
xx2008
2011-01-26
2011-01-30 04:44:21
by
jghe
[
Vasp&Me
]
【求助】vasp集群提交任务
(2/458)
Gina88
2011-01-24
2011-01-28 19:06:14
by
轻风龙骑士
[
Vasp&Me
]
【求助完毕】程序表示什么意思?
(5/1256)
Gina88
2011-01-25
2011-01-26 11:49:40
by
sunyang1988
[
Vasp&Me
]
【求助】硫原子的能量
(金币≥80)
(1/49)
zzzal
2011-01-23
2011-01-25 19:00:58
by
valenhou001
[
Vasp&Me
]
【求助】画态密度图
(7/1924)
xiaojie7783
2011-01-13
2011-01-25 13:10:16
by
frank_zhan
[
Vasp&Me
]
【求助】atomeye软件谁有呢
(1/370)
ustbwgs
2011-01-22
2011-01-23 20:22:58
by
y1ding
[
Vasp&Me
]
【求助】K点设置问题
(3/661)
taishasa
2011-01-22
2011-01-23 17:46:39
by
taishasa
[
Vasp&Me
]
【求助】计算带结构
(3/415)
xx2008
2011-01-21
2011-01-23 15:02:42
by
qiqi2926
[
Vasp&Me
]
【求助】结构优化与静态计算的INCAR 的参数设置
(6/3379)
xx2008
2011-01-19
2011-01-23 08:45:39
by
songdewang
[
Vasp&Me
]
【求助】谢谢
(1/193)
xx2008
2011-01-20
2011-01-22 16:47:06
by
4010808
[
Vasp&Me
]
【求助】求助如何用vasp算应变和应力的关系
(2/1962)
hiyangyue
2011-01-20
2011-01-21 16:08:53
by
虾米学习
[
Vasp&Me
]
【求助完毕】六方晶格下O2电荷密度为什么严重小?
(3/746)
cenwanglai
2011-01-18
2011-01-19 19:00:48
by
bingmou
[
Vasp&Me
]
[关贴]
【求助】自动生成VASP 计算原始文件夹
(1/387)
拓海1627
2011-01-18
2011-01-19 11:08:47
by
wo8165827
[
Vasp&Me
]
【求助】请问neighbors.pl如何使用?如何得到团簇原子间的平均键长?
(1/265)
piaoxue001
2011-01-18
2011-01-19 09:06:55
by
piaoxue001
[
Vasp&Me
]
【求助】一个有关结构优化过程中CONTAR的问题
(
1
2
)
(14/1347)
babaleo
2010-10-22
2011-01-17 09:24:20
by
babaleo
[
Vasp&Me
]
【求助】有关POSCAR的问题!
(9/1142)
学员UKbkc5
2010-07-30
2011-01-16 19:09:05
by
zzy870720z
[
Vasp&Me
]
【求助】有关NM稳定性的问题!
(0/460)
Gina88
2011-01-16
2011-01-16 17:53:07
by
Gina88
[
Vasp&Me
]
【求助】VASP+PHON算声子谱的简单问题
(2/461)
110327789
2011-01-15
2011-01-16 15:46:49
by
gavinliu7390
[
Vasp&Me
]
【讨论】Ti 和Zr 等hcp结构晶体的 POSCAR设定(3J)
(4/2138)
longmei_cn
2009-10-26
2011-01-16 15:11:54
by
zugulitang
[
Vasp&Me
]
【求助】如何根据cell文件写poscar
(
1
2
)
(11/1746)
xiaowu787
2010-11-02
2011-01-16 14:48:08
by
zugulitang
[
Vasp&Me
]
【求助】outcar2poscar 从VASP分子动力学的OUTCAR中提取POSCAR出错
(评阅+1)
(10/1895)
dragonlong
2010-12-23
2011-01-16 14:45:45
by
zugulitang
[
Vasp&Me
]
【其他】POSCAR里,数字的单位是什么
(
1
2
)
(10/1962)
ustbwgs
2010-12-02
2011-01-16 10:54:15
by
sunyang1988
[
Vasp&Me
]
【求助】请问用vasp做弛豫计算后哪里看其应力stress tensor呢?
(4/2207)
liumiao05
2010-01-19
2011-01-15 23:46:29
by
sunyang1988
[
Vasp&Me
]
【求助】求助VASP文件 求助成功,可关闭
(0/353)
gmy1990
2011-01-15
2011-01-15 11:17:06
by
gmy1990
[
Vasp&Me
]
[关贴]
【原创】【调查】如果开办VASP培训班,你最想学到什么?
(
1
2
)
(10/2814)
lyntea
2011-01-14
2011-01-15 10:39:21
by
blacksky00
[
Vasp&Me
]
【问题征集讨论】CONTCAR中的原子名称说明行
(7/1656)
youzhizhe
2010-12-25
2011-01-14 13:55:48
by
ustbwgs
[
Vasp&Me
]
【求助】The distance between some ions is very small
(18/2999)
ustbwgs
2011-01-08
2011-01-14 10:22:42
by
fzuvivi
[
Vasp&Me
]
【求助】关于2d的graphene材料真空层的选取
(6/981)
学员UKbkc5
2010-12-09
2011-01-13 21:56:56
by
frank_zhan
[
Vasp&Me
]
【求助】界面结合能与外延择优取向
(5/1177)
yq2240711
2011-01-10
2011-01-13 17:09:58
by
wuyuxiah
[
Vasp&Me
]
【求助】缺陷合成及其形成能计算
(0/539)
black_leopard
2011-01-13
2011-01-13 15:52:19
by
black_leopard
[
Vasp&Me
]
【求助】VASP 计算能带处理程序运行提示错误
(0/352)
夕阳西下
2011-01-13
2011-01-13 01:16:43
by
夕阳西下
[
Vasp&Me
]
【求助】OUTCAR中有关K点内容的理解
(4/1222)
ustbwgs
2011-01-10
2011-01-12 11:11:08
by
yzhang2010
[
Vasp&Me
]
【求助】VASP计算结构处理工具
(3/711)
enola
2011-01-09
2011-01-12 08:50:29
by
enola
[
Vasp&Me
]
【其他】vasp5.2 group name
(1/250)
hlshi
2011-01-11
2011-01-11 09:47:45
by
hlshi
[
Vasp&Me
]
【求助】关于电子自洽
(3/1302)
lgxyz
2011-01-07
2011-01-10 20:04:40
by
sunyang1988
[
Vasp&Me
]
【求助】什么是fixed-spin-moment calculations(FSM)?可分析什么?VASP怎么做?
(5/993)
zhjh888888
2011-01-08
2011-01-10 19:31:53
by
zhjh888888
[
Vasp&Me
]
【求助】怎样计算表面能???
(0/348)
kmw.8668
2011-01-10
2011-01-10 13:14:23
by
kmw.8668
[
Vasp&Me
]
【求助】我编译出来的vasp可执行文件是否链接正确了?
(4/631)
zyj8119
2011-01-09
2011-01-10 12:04:06
by
zyj8119
[
Vasp&Me
]
【求助】崩溃 VASP 90个小时
(5/736)
拓海1627
2011-01-08
2011-01-10 04:30:04
by
mooncakeaa
[
Vasp&Me
]
【求助成功】Vasp编译问题,换了一个编译器就好啦
(0/558)
yzh1977
2011-01-07
2011-01-09 22:26:03
by
yzh1977
[
Vasp&Me
]
【求助】slab模型的电子结构计算
(5/1978)
nkleof
2010-12-16
2011-01-09 12:27:23
by
wei.ji
[
Vasp&Me
]
【求助】请问vasp能不能算加磁场的情况
(1/1359)
tinkie0411
2011-01-06
2011-01-09 03:11:45
by
tinkie0411
[
Vasp&Me
]
【求助】请问哪位高手怎么用VSAP计算物质的能带结构和磁性
(5/1196)
zh060702012
2010-11-12
2011-01-09 00:23:15
by
liuxiaoe
11436
107/115
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