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Vasp&MedeA
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[
热点
]
怎么删帖子啊
缝曦1000
2026-04-04
刚刚
[
Vasp&Me
]
[关贴]
【原创】用pgi10.0编译vasp5.2
(12/2844)
guohuazhong
2010-05-03
2010-10-05 19:07:40
by
后天一
[
Vasp&Me
]
【求助】vasp的计算时间含义
(
1
2
)
(12/4138)
nkleof
2010-09-27
2010-10-05 13:35:14
by
calos818
[
Vasp&Me
]
【求助成功】如何设置参数
(6/616)
fengshiquan
2010-10-04
2010-10-05 09:54:50
by
fengshiquan
[
Vasp&Me
]
【求助】vasp运行出错
(1/728)
VASP2010
2010-10-04
2010-10-04 18:15:13
by
valenhou001
[
Vasp&Me
]
【求助】贡献50金币,求vasp,在论坛上找到的,用纳米盘总是下不了
(
1
2
)
(16/1184)
Janboma
2010-09-26
2010-10-03 23:30:28
by
Janboma
[
Vasp&Me
]
【求助】vi修改文件后vasp运行后还是原来没修改的结果。为什么?
(
1
2
)
(10/1549)
VASP2010
2010-09-20
2010-10-03 22:45:29
by
VASP2010
[
Vasp&Me
]
【求助】直接从国外而不经过国内的代理商购买VASP的流程是怎样的?
(1/1183)
xiaowandouer
2010-09-30
2010-09-30 16:10:43
by
bingmou
[
Vasp&Me
]
【求助】求六角表面的高对称点坐标
(2/1068)
雪狼1210
2010-09-27
2010-09-30 13:51:12
by
雪狼1210
[
Vasp&Me
]
【求助】结合能计算
(6/1880)
xiaojie7783
2010-04-21
2010-09-29 22:44:41
by
4010808
[
Vasp&Me
]
【求助】Fermi smearing function 是怎么设的?
(5/1464)
cuihang
2010-09-29
2010-09-29 21:48:48
by
awmc2008
[
Vasp&Me
]
【求助】令人头疼的relax,大家帮忙分析一下问题出在那里?
(9/1599)
vaspstudy
2010-09-27
2010-09-28 18:47:15
by
hughluhan
[
Vasp&Me
]
【求助成功】VASP POSCAR 关于模拟盒子大小 求助一下
(评阅+2)
(2/938)
qphll
2010-09-28
2010-09-28 14:12:58
by
fanchen021
[
Vasp&Me
]
【其他】多核单机运行vasp,并行/串行那个效果更好
(2/1419)
vaspstudy
2010-09-27
2010-09-28 10:47:33
by
dxcharlary
[
Vasp&Me
]
【求助】这样写POSCAR的晶格矢量对吗?
(评阅+1)
(3/1702)
wang-lf09
2010-09-27
2010-09-28 09:02:47
by
hn19870519
[
Vasp&Me
]
【求助】带电团簇在vasp中ICHARGE的设置
(1/2174)
Ilovenewyork
2010-09-27
2010-09-28 08:30:51
by
cenwanglai
[
Vasp&Me
]
【求助】优化孤立分子遇到问题,求助
(4/937)
wvsw
2010-08-30
2010-09-28 08:13:44
by
cenwanglai
[
Vasp&Me
]
【求助】POSCAR中第二行具体怎么取,代表什么意思呀?
(2/1127)
wang-lf09
2010-09-27
2010-09-27 22:48:13
by
hughluhan
[
Vasp&Me
]
【求助】一维情况的k点设置
(6/1224)
小木虫于
2010-09-25
2010-09-27 17:23:05
by
sunyang1988
[
Vasp&Me
]
【求助】单机四核并行效率怎么这么低?
(
1
2
)
(11/2226)
wang-lf09
2010-09-26
2010-09-27 07:50:36
by
keda
[
Vasp&Me
]
【求助】现在的多核电脑与cluster有什么区别?
(8/919)
vaspstudy
2010-09-23
2010-09-26 14:38:07
by
wuli8
[
Vasp&Me
]
【求助】如何给体系加应变
(3/1202)
子虚乌有5388
2010-09-23
2010-09-25 17:46:36
by
sunyang1988
[
Vasp&Me
]
【求助】关于自旋极化的问题
(4/1411)
fulin
2010-09-15
2010-09-25 12:46:29
by
jphuang_63
[
Vasp&Me
]
【求助】盼高手指点,NEB计算
(1/837)
wqg1806
2010-09-24
2010-09-24 18:02:21
by
fanchen021
[
Vasp&Me
]
【求助】请教spin-polarized caculation
(8/1640)
lgxyz
2010-09-19
2010-09-24 10:26:36
by
lgxyz
[
Vasp&Me
]
【求助】vasp做NEB是不是必须并行安装才可以?
(3/604)
vaspstudy
2010-09-23
2010-09-23 21:35:01
by
fanchen021
[
Vasp&Me
]
【求助】如何分析出掺杂后的结构对称性
(3/917)
calos818
2010-09-23
2010-09-23 20:02:32
by
bingmou
[
Vasp&Me
]
【求助】Vasp计算DOSCAR输出
(2/722)
wqg1806
2010-09-18
2010-09-23 19:33:54
by
bingmou
[
Vasp&Me
]
【求助】如何用VASP计算电极化强度
(2/923)
wbt11129
2010-07-08
2010-09-23 15:30:35
by
wbt11129
[
Vasp&Me
]
【求助】如何画出空位点缺陷的的DOS和PDOS
(2/615)
vaspstudy
2010-09-22
2010-09-22 23:06:53
by
bingmou
[
Vasp&Me
]
【求助】原子振动频率的计算
(1/1230)
sunyang1988
2010-09-20
2010-09-22 01:09:34
by
gfei2008
[
Vasp&Me
]
【求助】第一原理怎么计算屈服极限
(8/2564)
zhanganping
2010-09-21
2010-09-21 16:08:04
by
zxzj05
[
Vasp&Me
]
【求助】关于磁性的计算
(2/485)
lgxyz
2010-09-21
2010-09-21 15:13:39
by
lgxyz
[
Vasp&Me
]
【求助】表面吸附计算
(9/1421)
cqgzc
2010-07-13
2010-09-21 08:18:47
by
guolianshun
[
Vasp&Me
]
【求助】体系中加一个电子问题
(2/417)
weiwei128
2010-09-20
2010-09-20 22:10:15
by
sunyang1988
[
Vasp&Me
]
【求助】关于ISPIN和LORBIT
(1/621)
lgxyz
2010-09-20
2010-09-20 22:06:39
by
sunyang1988
[
Vasp&Me
]
【求助】关于过渡金属氧化物的能带宽度与磁性
(3/1536)
gzqdyouxia
2010-07-29
2010-09-20 16:42:40
by
guolianshun
[
Vasp&Me
]
【求助】vasp优化单独的气体分子,K点必须取1 1 1吗?
(2/1062)
wanghui381
2010-09-20
2010-09-20 09:22:59
by
lgxyz
[
Vasp&Me
]
【求助】vasp不同磁结构最后的收敛问题
(6/1452)
calos818
2010-09-16
2010-09-20 07:40:38
by
calos818
[
Vasp&Me
]
【求助】关于vasp
(2/476)
chiqiong
2010-09-19
2010-09-19 17:06:42
by
lgxyz
[
Vasp&Me
]
【求助】求linux下的p4vasp
(4/1448)
zhjh888888
2010-03-31
2010-09-19 14:55:08
by
cenwanglai
[
Vasp&Me
]
【求助】关于EDIFFG 用能量还是用力?
(9/1517)
lgxyz
2010-09-17
2010-09-18 09:01:04
by
lgxyz
[
Vasp&Me
]
【求助】出现以下警告一般是哪些设置出现了问题?
(4/930)
215215
2010-09-17
2010-09-17 16:11:13
by
sunyang1988
[
Vasp&Me
]
【求助】VASP计算cluster出错!
(5/1235)
zmj110
2010-09-17
2010-09-17 14:50:22
by
zmj110
[
Vasp&Me
]
【求助】报错LAPACK: Routine ZPOTRF failed
(1/1229)
liluyan
2010-09-16
2010-09-16 19:56:04
by
peng.029
[
Vasp&Me
]
【求助】有人用vasp算过LDA+U吗
(2/342)
Akuang
2010-09-16
2010-09-16 17:17:04
by
Akuang
[
Vasp&Me
]
【求助】vasp做表面结构
(2/273)
chiqiong
2010-09-16
2010-09-16 17:09:46
by
chiqiong
[
Vasp&Me
]
【求助】VASP计算cluster出错!
(2/932)
zmj110
2010-09-16
2010-09-16 15:11:28
by
zmj110
[
Vasp&Me
]
【求助】给一种结构两种不同的磁矩分布,结果得到相同的磁矩分布,但能量却相差很大
(3/1005)
小木虫于
2010-09-15
2010-09-16 09:26:23
by
valenhou001
[
Vasp&Me
]
【求助】优化ENCUT出现异常
(
1
2
)
(19/1392)
lgxyz
2010-06-26
2010-09-16 08:33:37
by
lgxyz
[
Vasp&Me
]
【求助】VASP结构优化
(7/2227)
chen_yang
2010-08-03
2010-09-16 01:47:32
by
1003307944
[
Vasp&Me
]
【求助】VASP的开发组名称叫什么?
(1/459)
vaspstudy
2010-09-15
2010-09-15 23:58:14
by
hchfox
[
Vasp&Me
]
【求助】关于vasp占用的内存
(1/835)
lgxyz
2010-09-15
2010-09-15 19:23:57
by
lgxyz
[
Vasp&Me
]
【求助】关于vasp NEB
(评阅+1)
(8/2246)
lgxyz
2010-09-07
2010-09-15 17:47:08
by
peng.029
[
Vasp&Me
]
【求助】帮忙VASP写个小程序
(
1
2
3
)
(21/2313)
wo8165827
2010-09-11
2010-09-15 11:03:33
by
拓海1627
[
Vasp&Me
]
【求助】推荐些好用的EOS状态方程拟合程序
(3/1290)
calos818
2010-09-14
2010-09-15 08:10:54
by
calos818
[
Vasp&Me
]
【求助】求后钙钛矿的POSCAR文件坐标
(4/949)
cuihang
2010-09-14
2010-09-14 22:17:48
by
cuihang
[
Vasp&Me
]
【求助成功】谁能发给我一个Gaussian Veiw,谢谢!
(2/219)
sunyang1988
2010-09-14
2010-09-14 16:44:59
by
whong
[
Vasp&Me
]
【求助】表面结构
(1/262)
chiqiong
2010-09-14
2010-09-14 15:59:19
by
valenhou001
[
Vasp&Me
]
【求助】请问如何限制磁矩方向和大小
(6/1869)
020080730
2010-09-10
2010-09-14 14:44:41
by
valenhou001
[
Vasp&Me
]
【求助】vasp的HSE泛函
(2/1377)
ikea1984
2010-09-02
2010-09-14 00:00:40
by
hughluhan
[
Vasp&Me
]
【求助】vasp的精度
(6/661)
yidiandian2703
2010-09-13
2010-09-13 23:56:22
by
yidiandian2703
[
Vasp&Me
]
【求助】vasp计算的结果显示segmentation fault是什么错误
(5/1785)
chiqiong
2010-09-12
2010-09-13 10:19:26
by
chiqiong
[
Vasp&Me
]
【求助】问个关于vasp能量的老问题
(3/886)
chimegreen
2010-09-12
2010-09-13 08:56:07
by
cenwanglai
[
Vasp&Me
]
【求助】vasp计算能带K点选取
(2/1531)
bnliu
2010-09-08
2010-09-13 08:33:40
by
bnliu
[
Vasp&Me
]
【求助】请问stdout
(2/265)
lgxyz
2010-09-12
2010-09-12 19:38:35
by
lgxyz
[
Vasp&Me
]
【求助】提交任务后,这是nohup.out文件,各位高手帮忙看看有没有问题
(3/1179)
chiqiong
2010-09-12
2010-09-12 12:13:17
by
cenwanglai
[
Vasp&Me
]
【求助】正则系综分子动力学模拟一个设置问题
(2/920)
stractor
2010-09-11
2010-09-12 09:08:27
by
fantouwen
[
Vasp&Me
]
【求助】vasp做分子动力学模拟
(5/1563)
gzhao1980
2010-09-04
2010-09-11 10:46:53
by
gavinliu7390
[
Vasp&Me
]
【求助】CO算例求助
(1/442)
江山2010
2010-08-12
2010-09-11 10:04:11
by
guolianshun
[
Vasp&Me
]
【求助】ZnO中的缺陷荷电状态怎么定
(
1
2
)
(11/1752)
vaspstudy
2010-09-09
2010-09-11 09:22:20
by
vaspstudy
[
Vasp&Me
]
【求助】vasp安装问题,急求解决办法~~~
(7/1289)
眉峰
2010-09-08
2010-09-11 09:11:35
by
贺仪
[
Vasp&Me
]
【求助】计算 再次出错?? 呵呵
(1/226)
zhuguomin1
2010-09-03
2010-09-11 08:37:02
by
zhuguomin1
[
Vasp&Me
]
【求助】关于vasp
(1/481)
chiqiong
2010-09-10
2010-09-11 00:57:06
by
vimtex
[
Vasp&Me
]
【求助】vasp 金属体相优化
(0/578)
lgxyz
2010-09-10
2010-09-10 19:05:01
by
lgxyz
[
Vasp&Me
]
【求助】怎样把linux的bash脚本编译成windows下的可执行文件(.exe)
(
1
2
)
(16/1826)
sunyang1988
2010-09-10
2010-09-10 18:37:05
by
hedaors
[
Vasp&Me
]
【求助】vasp计算出错
(评阅+1)
(2/745)
piaoxue001
2010-08-31
2010-09-10 16:18:44
by
piaoxue001
[
Vasp&Me
]
【求助】关于晶体表面
(4/713)
lgxyz
2010-09-09
2010-09-10 16:15:25
by
gaottgougou
[
Vasp&Me
]
【求助】关于vasp
(3/435)
chiqiong
2010-09-09
2010-09-10 16:10:10
by
ifmc1234
[
Vasp&Me
]
【求助】关于表面覆盖率
(3/607)
lgxyz
2010-09-09
2010-09-10 08:54:35
by
fanchen021
[
Vasp&Me
]
【求助】poscar文件中的笛卡尔坐标一直迷惑,求解
(
1
2
)
(评阅+1)
(11/2542)
信任开花
2010-09-07
2010-09-08 20:13:27
by
meinvren
[
Vasp&Me
]
【求助】表面能计算时slab和bulk的区别
(2/2345)
FFFd3689
2010-09-08
2010-09-08 14:50:29
by
valenhou001
[
Vasp&Me
]
【求助】VASP正则系综模拟问题
(4/1565)
stractor
2010-09-02
2010-09-08 08:21:48
by
stractor
[
Vasp&Me
]
【求助】如何从DOS看High Spin 和Low Spin态
(评阅+1)
(7/1472)
calos818
2010-09-07
2010-09-07 21:25:38
by
江山8806
[
Vasp&Me
]
【求助】vasp 对于一维问题 能带和态密度能否同时算得
(评阅+1)
(0/314)
小木虫于
2010-09-07
2010-09-07 12:27:46
by
小木虫于
[
Vasp&Me
]
【求助】lev00
(2/621)
yueya9113
2010-09-05
2010-09-07 08:43:42
by
cenwanglai
[
Vasp&Me
]
【求助】如何用VASP计算计入应变的缺陷形成能
(2/482)
bnliu
2010-09-01
2010-09-07 01:14:17
by
icyspace
[
Vasp&Me
]
【求助】vasp计算出现的问题
(0/429)
真实的自我
2010-09-05
2010-09-06 21:27:44
by
真实的自我
[
Vasp&Me
]
【求助】碳纳米管 硅橡胶 分散度 软件
(0/479)
gzhao1980
2010-09-06
2010-09-06 21:27:26
by
gzhao1980
[
Vasp&Me
]
【求助】vasp计算光学性质
(2/875)
子虚乌有5388
2010-09-06
2010-09-06 19:19:39
by
子虚乌有5388
[
Vasp&Me
]
【求助】关于+U方法的总能上的疑问
(
1
2
)
(10/1628)
hadone
2009-09-29
2010-09-06 16:45:32
by
zhang668
[
Vasp&Me
]
【求助】计算能带及态密度
(2/734)
小木虫于
2010-09-05
2010-09-05 18:44:34
by
sunyang1988
[
Vasp&Me
]
【求助】ISMEAR=0时,能量取哪个?
(1/1293)
zhang668
2010-09-04
2010-09-05 15:53:23
by
cenwanglai
[
Vasp&Me
]
【求助】态密度中6d贡献部分丢失
(3/633)
txf8378
2010-09-03
2010-09-05 11:11:22
by
fzx2008
[
Vasp&Me
]
【求助】vasp出错,potcar
(1/731)
zhaohuxian
2010-09-03
2010-09-05 08:39:04
by
gfei2008
[
Vasp&Me
]
【求助】vasp的电子自洽和原子核优化过程是否可以分开?
(4/1111)
yidiandian2703
2010-09-03
2010-09-04 10:21:16
by
yidiandian2703
[
Vasp&Me
]
【求助】真空层厚度的如何设置
(金币≥10)
(7/89)
真实的自我
2010-09-02
2010-09-03 19:43:30
by
ice_rain
[
Vasp&Me
]
【求助】单机多核用vasp NEB做过渡态 可行吗?
(5/920)
lgxyz
2010-09-02
2010-09-03 10:06:19
by
hgye
[
Vasp&Me
]
【其他】VASP5.2的杂化泛函计算速度如何?
(3/1643)
jglee646
2010-09-02
2010-09-02 11:23:47
by
stractor
[
Vasp&Me
]
【求助】VCA和SCPA的区别
(1/2813)
marsdoing
2010-01-06
2010-09-02 11:21:53
by
25351048
11439
111/115
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