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请问2026国家基金面上项目会启动申2停1吗
锦衣卫寒战
2025-12-08
刚刚
【求助】vi中怎么全选并复制?
(
1
2
)
(13/806)
huangyc
2009-07-21
2009-08-20 11:07:24
by
123qweasd7962
【求助】 OpenPBS的时间问题
(2/244)
ustbmars
2009-02-10
2009-08-20 10:44:19
by
123qweasd7962
【求助】集群PBS作业调度的问题
(1/252)
wld0328_17
2009-08-10
2009-08-20 10:40:12
by
123qweasd7962
[
MS
]
【求助】用castep怎样计算物质的磁性以及每个原子上的磁矩
(2/287)
currentyoungman
2009-08-20
2009-08-20 10:38:30
by
currentyoungman
【求助】如何区分态密度图中的eg和t2g态,推荐几篇相关文献也可以啊!
(
1
2
)
(16/1835)
sduzl
2008-06-20
2009-08-20 09:56:56
by
zzjust
[
MS
]
【求助】轨道密度
1
(3/334)
chenzhao6239
2009-08-06
2009-08-20 08:21:30
by
dongdong3881
[
其他
]
【其他】计模综合版欢迎做表面的朋友
(0/316)
wuli8
2009-08-19
2009-08-19 20:05:58
by
wuli8
【求助】态密度and能带分析
(9/887)
ancunguo
2009-07-22
2009-08-19 19:21:16
by
tfh00
[
MS
]
【求助】请教关于MS中频率的单位问题
(1/314)
kejecx
2009-08-18
2009-08-19 18:16:59
by
yangkunspace
[
MS
]
【求助】关于建立二维薄膜结构
(4/334)
yangkunspace
2009-08-14
2009-08-19 17:58:08
by
yangkunspace
[
MS
]
【求助】如何计算Raman谱图
(7/771)
yding99
2009-08-07
2009-08-19 15:22:15
by
stevia
[
MS
]
【求助】MS计算
(0/127)
QQQ9589
2009-08-19
2009-08-19 15:21:34
by
QQQ9589
[
MS
]
【求助】用MS做分子动力学时,怎样进行并行计算
(3/461)
mmyuan220
2009-08-06
2009-08-19 15:05:26
by
guosy1999
[
MS
]
【求助】MS4.3安装问题
(0/132)
lovemoon
2009-08-19
2009-08-19 10:49:14
by
lovemoon
[
MS
]
【求助】怎么打开castep计算结果中的 .cst_ome文件?
20
(1/174)
gkd_0000
2009-08-18
2009-08-19 09:33:22
by
gkd_0000
[关贴]
【求助】【求助】文献
(1/148)
dingyongbo
2009-08-19
2009-08-19 09:06:47
by
topten-gg
【讨论】如何计算基态磁化率和磁矩
(8/1251)
doudouding
2009-02-18
2009-08-19 08:37:37
by
ilyx8050
[
Vasp&Me
]
【求助】ISMEAR对费米能级的影响很大!求助
(
1
2
)
3
(13/1411)
jugengfans
2009-08-18
2009-08-19 02:11:21
by
zhao6085
[
MS
]
【求助】设置原子替位掺杂和空位问题
(
1
2
)
2
(14/1115)
jiarenxu
2009-07-08
2009-08-18 22:23:43
by
yxl7016
[
MS
]
【求助】算电子空穴有效质量中k点的选择!!
10
(9/1571)
magy22
2009-07-13
2009-08-18 21:44:14
by
yello
[
MS
]
【求助】如何修改UNIX下MS计算的临时目录
(2/595)
freshgirl
2009-07-17
2009-08-18 20:50:36
by
wuli8
[
Vasp&Me
]
【讨论】固融的稳定结构?
(2/156)
yangfangwi
2009-08-18
2009-08-18 20:38:52
by
yangfangwi
[
MS
]
【讨论】单个原子或者离子的能量
10
(5/619)
小臭虫
2009-08-17
2009-08-18 20:38:09
by
zxzj05
[
QE(Pwsc
]
【原创】Partial charge density(for any band at any k point)
(5/1199)
xirainbow
2009-08-10
2009-08-18 20:21:07
by
xirainbow
[
QE(Pwsc
]
【其他】GW模块已发布
(4/467)
xirainbow
2009-08-11
2009-08-18 20:20:10
by
xirainbow
[
Vasp&Me
]
【求助】VASP怎么模拟带电体系(charged system)
(3/1311)
leoaqu
2009-08-17
2009-08-18 16:37:35
by
chuzhaonan
[
MS
]
【求助】MS安装问题
(4/1460)
xiaoboy185
2008-12-07
2009-08-18 15:22:28
by
wp198626
[
MS
]
【求助】用Dmol3优化有机分子的结构,发现优化后的结构明显变形了,怎么办?
(1/443)
wwj1982770771
2009-08-18
2009-08-18 12:00:54
by
topten-gg
【求助】请教linux下安装MS的问题
(5/380)
solarman
2009-05-21
2009-08-18 08:36:58
by
zzy870720z
[
MS
]
【求助】水分子轨道能量顺序问题
(3/496)
pengge
2009-08-16
2009-08-18 07:59:51
by
jluzzw
[
MS
]
【求助】Cu (100),(110),(111)上的吸附度问题
(
1
2
)
(12/914)
jianxian20
2009-08-05
2009-08-17 23:28:50
by
jianxian20
[
Vasp&Me
]
【求助】关于能带图的绘制
(2/306)
zhao6085
2009-08-15
2009-08-17 22:39:33
by
zhao6085
[
MS
]
【讨论】晶格常数
(7/719)
w2056275
2009-08-16
2009-08-17 22:13:22
by
yxl7016
[
Wien2k&
]
【求助】环境变量设置
(3/462)
xiaoqiu007
2009-07-08
2009-08-17 21:42:07
by
yjr
[
Wien2k&
]
【求助】【求助】如何打开4核CPU?
(
1
2
)
(10/934)
wfbgc
2009-04-18
2009-08-17 20:55:07
by
chuzhaonan
[
MS
]
【讨论】castep跟别的软件相比缺点在哪, castep计算结果可靠吗
(8/1314)
gkd_0000
2009-08-13
2009-08-17 20:38:51
by
老虎大王
[
MS
]
【求助】castep硬度计算
(
1
2
3
)
(21/1710)
海涛2713
2009-06-04
2009-08-17 20:36:32
by
guitar2033
[
MS
]
【求助】dmol中模型考虑电场
(7/451)
fangyongxinxi
2009-08-17
2009-08-17 20:13:27
by
topten-gg
[
QE(Pwsc
]
【求助】怎样做声子的分波态密度?
(1/549)
xinqing98
2009-08-17
2009-08-17 18:33:12
by
lfhuang
【求助】请问怎么计算CdS晶体的结合能
(0/215)
yxl7016
2009-08-17
2009-08-17 17:29:26
by
yxl7016
[
Vasp&Me
]
【讨论】vasp算磁性体系的弛豫问题
(评阅+2)
(5/964)
p.k.g
2009-08-12
2009-08-17 16:18:33
by
yello
[
其他
]
【分享】很好的计算参考书:Computational Nanoscience Do It Yourself
(
1
2
)
(53/2667)
zxdai
2009-08-10
2009-08-17 11:35:10
by
Eileen7600
[
MS
]
【讨论】自旋极化以及分析
(
1
2
)
(评阅+2)
(15/2446)
jieweiwei
2008-11-27
2009-08-17 10:24:14
by
ilyx8050
[
MS
]
【求助】计算能带结构时出现错误
(
1
2
)
(10/665)
顺水
2009-08-15
2009-08-17 09:10:43
by
condensed
[
MS
]
【转帖】光学计算问题交流讨论
(2/826)
顺水
2009-08-16
2009-08-17 08:54:01
by
awmc2008
[
MS
]
【求助】请教DOML3中的电荷密度图存储文件是什么扩展名的?
(6/420)
bhcsmay
2009-08-16
2009-08-17 08:32:35
by
bhcsmay
【求助】MS 结构优化
(
1
2
)
(14/1528)
he1417
2008-12-17
2009-08-16 19:30:22
by
chuzhaonan
[
其他
]
【讨论】双操作系统安装成功
(
1
2
3
)
(评阅+2)
(20/957)
yxcai
2009-08-07
2009-08-16 19:27:11
by
chuzhaonan
[
MS
]
【求助】西安有没有做计算材料的牛人?谢谢大家
(
1
2
)
(11/746)
学员0sHCiU
2009-07-02
2009-08-16 13:35:50
by
guifan
[
QE(Pwsc
]
【原创】pwscf软件4.1最新版
(评阅+8)
(2/777)
chuzhaonan
2009-08-14
2009-08-16 11:14:28
by
hakuna
[
Vasp&Me
]
【求助】【求助】VASP中的ENCUT的默认值是多少呀
(
1
2
)
(12/1997)
wmm-11
2009-08-09
2009-08-16 00:24:59
by
quantumfang
[
QE(Pwsc
]
【原创】几个物理问题的简介及其原始文章罗列
(0/1202)
lfhuang
2009-08-15
2009-08-15 20:36:52
by
lfhuang
[
MS
]
【求助】请教问题,my computer链接不上,远程可用
(6/825)
xiaosi8758
2009-08-13
2009-08-15 14:37:50
by
shqshq
[
MS
]
【求助】请教O,N的单个原子能量怎么计算
(
1
2
)
(15/1808)
kangli8165
2009-07-27
2009-08-15 14:33:03
by
375713000
[
Vasp&Me
]
【求助】探讨一下vasp studio的用法
(8/632)
cathy-zhang7777
2009-08-13
2009-08-15 13:04:06
by
cathy-zhang7777
[
MS
]
【求助】有没有研究储氢方面的?
(6/440)
肖明珠
2009-08-12
2009-08-15 12:46:36
by
vincentchu
[
MS
]
【求助】急求,Materials Studio gateway出错
(8/2117)
guoyuming
2009-06-13
2009-08-15 11:24:05
by
shqshq
[
MS
]
【求助】DOS中的t2g和eg分别是什么啊?
(
1
2
)
(17/4232)
crante
2009-07-20
2009-08-15 08:58:03
by
chuzhaonan
[
QE(Pwsc
]
【求助】为什么做出的DOS图会有拖尾呢?
(
1
2
)
(10/900)
想念你的歌27
2009-08-12
2009-08-14 20:20:40
by
lfhuang
[
MS
]
【求助】纤锌矿CdSe的原子坐标,晶格常数
(1/312)
253513140
2009-08-13
2009-08-14 19:04:55
by
zxdai
[
MS
]
【求助】如何做partial charge density的图
(3/695)
freshgirl
2009-08-04
2009-08-14 18:58:53
by
Huanhuan5360
[
MS
]
【讨论】布里渊区的选取与选取原则?
(0/300)
lindlar0078
2009-08-14
2009-08-14 16:41:28
by
lindlar0078
[
MS
]
【求助】MS学习班问题
(
1
2
)
(11/960)
shelay
2009-07-23
2009-08-14 10:52:16
by
meimeinn
[
MS
]
【求助】Castep 计算碳纳米管的周期性问题
(4/451)
gaussian08
2009-07-31
2009-08-14 10:49:44
by
meimeinn
[
MS
]
【求助】MS构建晶体模型问题
(3/495)
yeahnet
2009-08-02
2009-08-14 10:47:39
by
meimeinn
[
MS
]
【讨论】原子磁矩
(评阅+2)
(8/2120)
lxrui
2009-08-02
2009-08-14 10:42:02
by
meimeinn
[
MS
]
【求助】关于几何优化中的两个问题,求助
(3/524)
学员TtYAjP
2009-08-03
2009-08-14 10:39:47
by
meimeinn
[
MS
]
【讨论】请教DMol3模块里的dynamics是不是从头算动力学?
(评阅+1)
(7/699)
xiao2008zhu
2009-08-02
2009-08-14 10:36:18
by
meimeinn
[
MS
]
【求助】表面计算
(6/463)
qingsong2262
2009-08-04
2009-08-14 10:33:25
by
meimeinn
[
MS
]
【求助】一些基本的问题
(9/582)
hzy900211
2009-08-05
2009-08-14 10:15:36
by
meimeinn
[
MS
]
【求助】求助电子密度差分图怎么画呢
1
(8/836)
w2056275
2009-08-09
2009-08-14 09:57:55
by
meimeinn
[
MS
]
【求助】如何设置CASTEP中的平面波截断能
(5/1510)
2007000491
2009-08-11
2009-08-14 09:39:40
by
meimeinn
[
MS
]
【求助】请教CASTEP计算如O,N的原子自由能
(2/381)
kangli8165
2009-07-27
2009-08-14 09:37:34
by
meimeinn
[
MS
]
【求助】dmol3加电场的单位是什么?
(5/1208)
gavinliu7390
2009-08-10
2009-08-14 09:33:33
by
meimeinn
[
MS
]
【求助】表面建模问题
(
1
2
)
(10/702)
hczheng899
2009-08-13
2009-08-14 09:10:06
by
meimeinn
[
Abinit
]
【求助】各种赝势的区别
(
1
2
)
(评阅+1)
(11/1792)
wenyun0876
2008-12-18
2009-08-14 01:09:03
by
暴风雪8788
[
MS
]
【讨论】何谓“平衡晶格常数”?
(5/768)
lindlar0078
2009-08-13
2009-08-13 22:13:52
by
lei0736
[
Wien2k&
]
【分享】文献
(1/423)
sandongyuwang
2009-08-13
2009-08-13 20:50:04
by
wuli8
[
Wien2k&
]
【分享】资料
(4/650)
sandongyuwang
2009-08-13
2009-08-13 20:44:52
by
wuli8
[
MS
]
【求助】communication failure怎么处理
(7/583)
jiawdd
2009-07-20
2009-08-13 20:36:46
by
topten-gg
[
MS
]
【求助】ms4.2 liunx下出错
(3/692)
yulifto
2009-05-08
2009-08-13 20:00:39
by
zhengjinde
[
MS
]
【求助】rigid band model是什么?
1
(0/685)
shelay
2009-08-13
2009-08-13 17:55:41
by
shelay
[
MS
]
【讨论】MS中的LDA+U几何优化
15
(6/1026)
encke
2009-08-04
2009-08-13 15:33:33
by
jluzzw
[
MS
]
【讨论】4.4和4.0竟然有区别
(
1
2
)
(18/1173)
ct417
2009-06-03
2009-08-13 13:24:29
by
chensxxy
[
MS
]
【求助】轨道图的画法
(8/703)
hxwyy2005
2009-06-24
2009-08-13 12:30:35
by
chuzhaonan
[
MS
]
【求助】cestep里的LDA方法问题
(2/261)
psichologist
2009-08-11
2009-08-12 23:55:51
by
hadone
[
MS
]
【求助】如何根据第一性原理计算结果来获得MD需要的势参数?
(5/553)
tanloer
2009-08-11
2009-08-12 21:59:35
by
tanloer
【求助】如何构建TiO2 cluster
10
(1/261)
沉默是金8138
2009-08-12
2009-08-12 20:42:49
by
沉默是金8138
[
MS
]
【求助】优化几十个原子体系后怎么得到优化后原子的XYZ的坐标?
(
1
2
)
7
(17/927)
positron
2009-07-30
2009-08-12 17:46:05
by
zhangsong8836
[
MS
]
【求助】Material studio是否可以计算有机物分子的标准生成焓?
(
1
2
)
6
(14/1763)
cometring
2009-08-04
2009-08-12 15:28:30
by
弦犹在耳
[
MS
]
【求助】MS4.4或4.3license
(1/270)
mmyuan220
2009-08-06
2009-08-12 14:08:48
by
chensxxy
[
Wien2k&
]
【讨论】BoltzTrap
(9/1261)
ylyan
2009-07-13
2009-08-12 13:13:17
by
gkd_0000
[
Vasp&Me
]
【求助】vasp势的区别
5
(9/666)
simone389
2009-06-11
2009-08-12 11:15:58
by
quantumfang
【求助】红帽子AS5U3的显卡安装问题
(7/715)
phenols
2009-07-23
2009-08-12 11:14:13
by
phenols
[
Siesta&
]
【分享】Updated packages ATK 2009.06
(评阅+2)
(0/365)
lxmn
2009-08-12
2009-08-12 09:48:08
by
lxmn
[
Vasp&Me
]
【求助】magnetization的说明
(
1
2
)
(14/958)
nkleof
2009-08-05
2009-08-12 07:19:04
by
twister
[
MS
]
【求助】【求助】如何看ourmol中单个原子对结构总轨道的贡献呢
(0/115)
wmm-11
2009-08-11
2009-08-11 19:03:00
by
wmm-11
[
MS
]
【求助】晶体结构中多面体的建立问题
(6/450)
学员TtYAjP
2009-08-09
2009-08-11 15:34:16
by
awmc2008
[
Abinit
]
【讨论】PAW赝势问题
(2/340)
baoer3808
2009-08-10
2009-08-11 12:04:02
by
beyondstar
[
Siesta&
]
【分享】如何运行命令式脚本
(评阅+3)
(1/438)
fangyongxinxi
2009-08-09
2009-08-11 08:29:27
by
fangyongxinxi
9051
39/91
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