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最后发表
[
热点
]
心脉受损
偏振片
2025-12-18
刚刚
[
Vasp&Me
]
[已完结]
计算单层片状结构的态密度
(0/447)
stractor
2012-12-03
2012-12-03 09:37:09
by
stractor
[
Vasp&Me
]
[已完结]
关于VASP的POSCAR 可以设成非直角坐标吗
(0/310)
xcid
2012-12-03
2012-12-03 09:33:37
by
xcid
[
Vasp&Me
]
[已完结]
弹性常数
(1/429)
fjfuzhou
2012-10-13
2012-12-03 09:09:12
by
xueht987
[
Vasp&Me
]
[已完结]
v2xsf 请问各位这个软件分32位和64味的吗
(2/428)
lzlgcdc
2012-12-02
2012-12-02 22:30:13
by
lzlgcdc
[
MS
]
[已完结]
大家帮我看看,我的结果文件有什么问题
(3/1164)
leilei024542
2012-12-01
2012-12-02 16:16:57
by
leilei024542
[
MS
]
[已完结]
紧急求助,并行机台,连接运行错误
(0/300)
doisunny
2012-12-02
2012-12-02 12:42:05
by
doisunny
[
Vasp&Me
]
[已完结]
费米能级
(4/593)
707462558
2012-11-28
2012-12-02 09:49:38
by
707462558
[
热点前沿
]
[已完结]
Ru4+的磁矩怎么算的
(1/1217)
lvkai39
2012-12-01
2012-12-02 08:36:20
by
lvkai39
[
Vasp&Me
]
[专家]
[已完结]
[关贴]
【已解决】VASP内存占用疯涨……看来得重新编译了……
(
1
2
)
(14/3192)
souledge
2012-11-22
2012-12-01 16:54:59
by
souledge
[
Vasp&Me
]
[已完结]
vasp带电缺陷形成能计算
(0/4321)
Principle1st
2012-12-01
2012-12-01 15:42:30
by
Principle1st
[
其他
]
[已完结]
十万火急求文献
(0/252)
xyzzz986
2012-12-01
2012-12-01 10:58:15
by
xyzzz986
[
MS
]
[已完结]
原子轨道重叠问题,急!!!
(3/1158)
鱼落凡间6016
2012-11-28
2012-12-01 00:49:43
by
南飞探
[
Abinit
]
[已完结]
请求帮助,Abinit运行时遇到的问题
(5/700)
meyhf
2012-11-26
2012-11-30 19:39:42
by
mailoliver
[
MS
]
[已完结]
MS5.5 安装以后 关于LICENSE
(6/971)
湘东浪里白条
2012-11-26
2012-11-30 18:58:42
by
kcy87123777
[
Vasp&Me
]
[已完结]
ISMEA=-5 不能进行计算
(5/855)
lu_wei07
2012-11-30
2012-11-30 18:57:41
by
707462558
[
Vasp&Me
]
[已完结]
非周期性的结构没有高对称点吗
(3/346)
707462558
2012-11-26
2012-11-30 17:55:39
by
707462558
[
热点前沿
]
[已完结]
关于无定形金属氧化物表面的模型
(0/387)
xiaoboy185
2012-11-30
2012-11-30 17:24:11
by
xiaoboy185
[
Vasp&Me
]
[已完结]
vasp.5.lib 编译出错,求助如何改正
(1/1136)
zjucy
2012-11-29
2012-11-30 16:37:04
by
lizhi1314
[
MS
]
[已完结]
materials studio FOM值
(1/1100)
mansamsung8113
2011-09-20
2012-11-30 16:31:44
by
xiehuaiyan
[
MS
]
[已完结]
请教
(2/239)
hecking
2012-08-28
2012-11-30 13:50:03
by
fjfuzhou
[
MS
]
[已完结]
Dmol3 算晶体的能力限制是多少?内存怎么配置?
(1/716)
gauss98
2012-11-28
2012-11-30 11:38:38
by
gauss98
[
Siesta&
]
[已完结]
关于计算结果选取ETOT 还是 free ENG的问题(siesta)
(2/406)
wyding
2012-11-30
2012-11-30 10:55:45
by
wyding
[
Vasp&Me
]
[已完结]
vasp安装问题
(
1
2
)
(14/1505)
贝芷苡
2012-11-27
2012-11-30 08:54:54
by
贝芷苡
[
Vasp&Me
]
[已完结]
请教split_dos处理DOS的相关问题
(4/1530)
gtssongchi
2012-11-15
2012-11-29 22:57:31
by
lu_wei07
[
MS
]
[已完结]
MS如何作出半导体不同能带位置对应的电荷密度分布
(2/853)
shijiangjian
2012-11-28
2012-11-29 21:49:23
by
shijiangjian
[
Vasp&Me
]
[已完结]
结构优化与静态计算
(1/526)
lizhi1314
2012-11-19
2012-11-29 21:24:31
by
贝芷苡
[
Wien2k&
]
[已完结]
[关贴]
wien2k 错误
(1/437)
haily
2011-11-04
2012-11-29 19:41:14
by
haily
[
MS
]
[已完结]
MS之DMOL3中的任务排队问题?求解...
(6/1140)
zfx611424
2012-02-26
2012-11-29 15:37:17
by
liangzhibin
[
MS
]
[已完结]
能带结构计算结束后,从服务器上下载下来结果文件后,如何读出能带结构图?
(1/554)
seuzzj
2012-04-15
2012-11-29 15:32:59
by
liangzhibin
[
MS
]
[已完结]
castep理论计算可以对半导体气体传感器的原理进行分析吗?
(2/325)
dxiao1028
2012-11-29
2012-11-29 14:32:02
by
dxiao1028
[
MS
]
[已完结]
Materials studio for Linux 5.5
(1/280)
Calm913
2012-11-07
2012-11-29 12:30:16
by
301ustb
[
Vasp&Me
]
[已完结]
在作界面计算时如何确定U的值
(0/391)
fengnan127
2012-11-29
2012-11-29 12:08:49
by
fengnan127
[
MS
]
[已完结]
MS建模根本什么也看不见
(2/334)
lu_wei07
2012-11-28
2012-11-29 11:06:03
by
lu_wei07
[
MS
]
[已完结]
弹性常数
(2/363)
haitian123
2012-11-22
2012-11-29 10:47:32
by
fjfuzhou
[
Vasp&Me
]
[已完结]
[关贴]
结构优化BRMIX: very serious problems the old and the new charge density diff
(
1
2
)
(12/3899)
zyren123
2012-11-22
2012-11-29 08:50:58
by
future_wl
[
Vasp&Me
]
[已完结]
vasp安装问题
(3/572)
贝芷苡
2012-11-28
2012-11-29 08:23:07
by
贝芷苡
[
热点前沿
]
[已完结]
旋涂用的烤胶台,可以用紫外灯代替吗?
(2/601)
苦咖啡酸苹果
2012-11-27
2012-11-29 07:58:53
by
苦咖啡酸苹果
[
MS
]
[已完结]
castep计算出现mpi问题
(8/1990)
墨客
2012-05-03
2012-11-29 07:08:07
by
pengliusss
[
MS
]
[已完结]
我在MS计算声子时遇到这个问题,请问高手们这个怎么解决?
(2/552)
学员MQJm92
2012-04-10
2012-11-29 06:55:18
by
pengliusss
[
MS
]
[已完结]
恳请高手指点:在castep计算中,可以给某个原子赋予初速度或者外力吗?
(0/255)
miazl
2012-11-28
2012-11-28 22:33:36
by
miazl
[
Vasp&Me
]
[已完结]
vasp计算什么样的计算才算是精度高的计算
(2/712)
707462558
2012-11-21
2012-11-28 22:27:17
by
707462558
[
MS
]
[已完结]
DPD建立聚合物刷模型
(3/728)
风吹雪下
2012-11-06
2012-11-28 21:37:11
by
tianlangxingaa
[
Vasp&Me
]
[已完结]
高压下的弹性常数
(0/660)
yjwyjwyjw
2012-11-28
2012-11-28 21:14:33
by
yjwyjwyjw
[
Vasp&Me
]
[已完结]
用VASP能不能算单层原子的结合能
(0/500)
hutudiangong
2012-11-28
2012-11-28 19:42:39
by
hutudiangong
[
MS
]
[已完结]
作图高手进来看下,为什么我的能带图这样扭曲
(
1
2
)
(17/2390)
MC-unmecrcy
2011-12-14
2012-11-28 17:53:34
by
gemucai
[
Vasp&Me
]
[已完结]
VASP计算吸附能时,各部分的能量是否都要用优化后然后静态计算的能量
(2/1365)
mitong
2012-11-25
2012-11-28 15:22:01
by
karen_jiejie
[
Vasp&Me
]
[已完结]
100原子以下的杂化泛函计算或是GW计算的机器配置和价格
(5/1005)
mazuju028
2012-11-25
2012-11-28 15:08:05
by
zhshch
[
Vasp&Me
]
[已完结]
VASP测试k点的时候报错
(8/3371)
caesarly
2012-06-10
2012-11-28 13:01:15
by
future_wl
[
Siesta&
]
[已完结]
transiesta计算终止
(0/431)
xiongxiong5712
2012-11-28
2012-11-28 11:26:40
by
xiongxiong5712
[
Vasp&Me
]
[已完结]
求vasp benchmark.tar 和bench.Hg.tar 文件
(2/318)
wangz00
2012-11-27
2012-11-28 11:01:52
by
wangz00
[
Vasp&Me
]
[已完结]
CHGCAR 的数据 实空间 还是倒空间?
(8/1034)
nodding
2012-10-25
2012-11-28 10:51:28
by
fjfuzhou
[
Vasp&Me
]
[已完结]
vasp 计算完,怎么求单位原子成键数
(0/946)
aaa207
2012-11-28
2012-11-28 10:15:43
by
aaa207
[
MS
]
[已完结]
怎样让MS输入的晶体结构图更为清晰
(5/1251)
hwceng0816
2012-11-26
2012-11-28 09:10:01
by
stefsui
[
Vasp&Me
]
[已完结]
如何固定FFT 格子
(4/2210)
xiaoluoj
2012-08-26
2012-11-28 07:53:21
by
fjfuzhou
[
Vasp&Me
]
[已完结]
vasp 无结果
(4/521)
yangfeng513
2012-11-24
2012-11-27 22:18:00
by
fdd096030079
[
Vasp&Me
]
[已完结]
VASP计算-考虑自旋极化
(3/2890)
yjwyjwyjw
2012-11-27
2012-11-27 20:18:46
by
emilyoyang
[
Vasp&Me
]
[已完结]
vasp计算sigma3倾侧晶界
(1/1083)
gaods101@163
2011-05-09
2012-11-27 19:04:28
by
lijuanshu
[
MS
]
[已完结]
如何利用ms建立Ni∑5(210)晶界原胞模型
(2/1200)
shui449
2011-09-21
2012-11-27 19:02:02
by
lijuanshu
[
Vasp&Me
]
[已完结]
计算单个磷(P)原子能量
(1/882)
didadida321
2012-11-27
2012-11-27 18:14:39
by
06022043
[
Siesta&
]
[已完结]
siesta 计算磁性的问题
(3/722)
mengfc
2012-10-23
2012-11-27 18:04:24
by
lu_wei07
[
MS
]
[已完结]
[关贴]
castep scf不收敛怎么办,怎么办!! 急急急!!
(3/3562)
leilei024542
2012-11-26
2012-11-27 17:26:57
by
w1988z03
[
MS
]
[已完结]
关于几何优化(我是初学者,见笑)
(9/2764)
minhuihua
2011-11-20
2012-11-27 14:08:01
by
w1988z03
[
Siesta&
]
[已完结]
transiesta的计算
(3/813)
maomao-666
2012-10-30
2012-11-27 12:04:22
by
584931986
[
Vasp&Me
]
[已完结]
初次使用VASP,请求帮助
(6/1034)
lengqiang
2012-11-25
2012-11-27 11:28:47
by
lengqiang
[
Vasp&Me
]
[已完结]
关于计算的自旋密度分布的等值面
(0/680)
王建春198728
2012-11-27
2012-11-27 10:51:18
by
王建春198728
[
MS
]
[已完结]
掺杂优化晶胞不收敛 急
(0/840)
菲顶顶
2012-11-27
2012-11-27 10:08:59
by
菲顶顶
[
Vasp&Me
]
[已完结]
AFM 计算,VASP自动终止了计算。求解答。
(1/1170)
bill686433
2012-11-26
2012-11-27 10:07:01
by
bill686433
[
Vasp&Me
]
[已完结]
安装VASP时出现如下问题
(0/158)
王建春198728
2012-11-27
2012-11-27 09:18:56
by
王建春198728
[
Vasp&Me
]
[已完结]
MedeA 大约多少钱可以买下·········
(3/1169)
Mr_WuSH
2012-11-26
2012-11-27 08:30:03
by
likai0106
[
QE(Pwsc
]
[已完结]
建模 面心正交晶格 体心四方晶格
(6/2238)
hanyanli0475
2012-01-06
2012-11-27 06:54:18
by
飞扬hunter
[
Siesta&
]
[已完结]
tbtrans计算失败
(0/550)
xiongxiong5712
2012-11-27
2012-11-27 00:01:46
by
xiongxiong5712
[
Vasp&Me
]
[已完结]
d轨道形状解释
(0/816)
zhang668
2012-11-26
2012-11-26 22:16:34
by
zhang668
[
热点前沿
]
[已完结]
拉伸应力应变曲线横轴变大
(0/520)
janet2012222
2012-11-26
2012-11-26 19:56:51
by
janet2012222
[
MS
]
[已完结]
MS VS Vasp
(
1
2
)
(12/1808)
anlen0615
2012-11-20
2012-11-26 18:21:41
by
anlen0615
[
MS
]
[已完结]
如何知道Cr3C2的各原子坐标呢,要用MS建模
(0/248)
飞扬hunter
2012-11-26
2012-11-26 16:43:03
by
飞扬hunter
[
Vasp&Me
]
[已完结]
优化后模型完全变形了
(8/1603)
707462558
2012-11-21
2012-11-26 16:29:01
by
707462558
[
MS
]
[已完结]
强电子关联体系
(1/505)
鱼落凡间6016
2012-11-26
2012-11-26 16:26:37
by
鱼落凡间6016
[
Vasp&Me
]
[已完结]
请各位帮我看看 优化后的结构散乱
(2/262)
lzlgcdc
2012-11-25
2012-11-26 10:18:06
by
lzlgcdc
[
MS
]
[已完结]
关于sorption 模块
(0/341)
C40814052
2012-11-26
2012-11-26 09:04:43
by
C40814052
[
其他
]
[已完结]
Bader charge
(0/550)
骑英奔腾
2012-11-26
2012-11-26 08:26:39
by
骑英奔腾
[
MS
]
[已完结]
.cell生成后原子坐标不对
(3/343)
lzlgcdc
2012-11-25
2012-11-26 00:24:48
by
lzlgcdc
[
Vasp&Me
]
[已完结]
用vasp优化结构 断电了
(2/680)
707462558
2012-11-24
2012-11-25 22:12:06
by
707462558
[
Vasp&Me
]
[已完结]
VASP 计算E-V曲线求助。。
(
1
2
)
(10/2352)
mxl10000
2012-11-23
2012-11-25 21:22:23
by
mxl10000
[
Wien2k&
]
[已完结]
哪路神仙指点下wien 2k 计算ZnS,ZnSe,ZnTe的计算参数
(0/351)
笑`笑
2012-11-25
2012-11-25 21:03:45
by
笑`笑
[
Vasp&Me
]
[已完结]
vasp刚开始按就出问题……求助各位啊
(6/997)
lzlgcdc
2012-10-16
2012-11-25 20:35:22
by
liliangfang
[
Vasp&Me
]
[已完结]
求助HSE计算,急
(4/913)
lengqiang
2012-11-25
2012-11-25 16:20:30
by
future_wl
[
Vasp&Me
]
[已完结]
vasp-neb 收敛问题求助
(5/1714)
wyf198166
2011-12-09
2012-11-25 12:01:05
by
xiaoluoj
[
其他
]
[已完结]
求ICSD编号为38294的PbSe详细结构参数!!
(3/532)
kugou521
2012-11-23
2012-11-25 10:40:17
by
kugou521
[
热点前沿
]
[已完结]
IGLO方法那些程序可以计算?
(3/733)
10010602004
2012-07-11
2012-11-25 10:25:45
by
leimiao_hit
[
MS
]
[已完结]
哪位高手帮我解决一下气体吸附的建模问题啊 急
(8/857)
fanqy1991
2012-11-23
2012-11-24 10:41:50
by
zhunzhunbing
[
MS
]
[已完结]
正交晶系k点选取
(8/1509)
嗨,大家好
2012-11-21
2012-11-24 10:12:49
by
707462558
[
其他
]
[已完结]
ZnS 的cohesive energy 是多少?(eV)
(0/457)
ice_rain
2012-11-24
2012-11-24 09:57:22
by
ice_rain
[
Vasp&Me
]
[已完结]
vasp或MS能做出这种图吗
(9/1414)
xiaoluoj
2012-10-15
2012-11-24 09:06:49
by
707462558
[
Vasp&Me
]
[已完结]
结构优化问题 求指导
(
1
2
)
(19/1123)
lzlgcdc
2012-11-20
2012-11-24 04:51:44
by
elementAt
[
MS
]
[已完结]
怎样用material studio生成包含conect字段的坐标文件????
(0/317)
xiaosaizhao
2012-11-23
2012-11-23 23:20:29
by
xiaosaizhao
[
Abinit
]
[已完结]
声子谱计算光学支问题---求高手指导
(0/1452)
月空星痕
2012-11-23
2012-11-23 17:19:37
by
月空星痕
[
MS
]
[已完结]
关于原子固态时能量的计算求解
(0/295)
xiao9xie
2012-11-23
2012-11-23 17:02:17
by
xiao9xie
[
MS
]
[已完结]
真实电镜图与模型图的结合
(0/871)
zhuguomin1
2012-11-23
2012-11-23 16:45:07
by
zhuguomin1
[
MS
]
[已完结]
通过服务器--计算平台 如何得到castep几何优化结构.xsd?
(0/278)
pengliusss
2012-11-23
2012-11-23 16:41:55
by
pengliusss
22598
177/226
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