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真诚求助:手里的省社科项目结项要求主持人一篇中文核心,有什么渠道能发核心吗
jsessie
2025-12-09
刚刚
[
MS
]
【求助】请问castep做band structure中横坐标k的单位是什么?
(5/763)
magy22
2009-07-14
2009-07-14 19:02:48
by
zhm_list
[
MS
]
【求助】计算Born effective charges 出错?
(1/200)
B.C.Wang
2009-07-12
2009-07-14 17:50:38
by
zyj8119
[
其他
]
【求助】fullpro 能输入的XRD格式
(2/203)
exram517
2009-07-13
2009-07-14 17:32:23
by
zxzj05
[
MS
]
【求助】怎么算表面的binding energy
(3/411)
agnes18
2009-07-14
2009-07-14 16:13:35
by
ynu88
[
其他
]
【分享】状态方程拟合
(1/446)
cheerian
2009-07-14
2009-07-14 16:10:58
by
zxzj05
[
MS
]
【求助】怎样做参杂团簇轨道态密度图
(
1
2
)
(15/1060)
ccwhhs
2009-06-16
2009-07-14 11:53:23
by
ccwhhs
[
MS
]
【求助】在线等:关于ms的DMol3模块算出来的吉布斯自能
(2/324)
greekgreekgeng
2009-07-04
2009-07-14 11:08:22
by
dgcrcat
[
Abinit
]
[关贴]
封贴
(11/386)
wenjlu
2009-06-29
2009-07-14 09:30:54
by
yy08
[
MS
]
【求助】MS计算问题
(1/199)
肖明珠
2009-07-13
2009-07-14 00:43:03
by
fuzp
[
MS
]
【求助】做MS计算,电脑配置
(
1
2
)
(10/860)
seek269
2009-07-12
2009-07-13 19:11:57
by
seek269
[
MS
]
【求助】castep 总是出错,求解答
(4/708)
375713000
2009-07-12
2009-07-13 19:09:16
by
fuzp
[
MS
]
【求助】ms中的模块问题
(3/315)
shaopeng6539
2009-07-13
2009-07-13 18:15:48
by
yxcai
[
MS
]
【求助】掺杂问题
(3/298)
stou
2009-07-13
2009-07-13 13:27:46
by
shelay
[
MS
]
【求助】电荷分布
(8/609)
jieweiwei
2009-03-21
2009-07-13 13:26:37
by
shelay
[
MS
]
【求助】有关castep的问题
(2/262)
hzy900211
2009-07-09
2009-07-13 10:22:36
by
meimeidyh
[
Vasp&Me
]
【求助】如何将能量外推至kT=0的情况?
(0/200)
天棚元帅
2009-07-13
2009-07-13 10:21:55
by
天棚元帅
[
MS
]
【求助】discover中出现job failed
(1/173)
lorl
2009-07-12
2009-07-13 08:39:58
by
topten-gg
【求助】[求助] MS,castep中计算DOS的展宽系数的单位
(4/453)
zhaolz
2009-06-18
2009-07-13 08:37:50
by
topten-gg
[
Siesta&
]
【求助】电极unit cell 大小设置
(3/268)
fangyongxinxi
2009-07-12
2009-07-12 22:04:31
by
fangyongxinxi
[
MS
]
【求助】Materials-Studio for linux如何卸载
(2/1400)
zhang_gucas
2009-07-09
2009-07-12 21:58:51
by
fuzp
[
Vasp&Me
]
【求助】vasp4.6编译
(2/200)
wangzg9292
2009-07-06
2009-07-12 21:56:47
by
wangzg9292
【求助】看看这句话是什么意思?
(4/409)
piaoran168
2009-07-03
2009-07-12 11:37:23
by
piaoran168
[
Vasp&Me
]
[求助] pgi编译器安装问题
(
1
2
)
(15/927)
nation1717
2009-03-03
2009-07-12 10:46:20
by
zhangkun7581
[
其他
]
【求助】请教大家一个赝势问题
(0/148)
xiaoxue7002
2009-07-12
2009-07-12 09:34:34
by
xiaoxue7002
[
Vasp&Me
]
【分享】使用MedeA做的部分文献,共26篇
(20/1749)
moueor
2009-01-06
2009-07-11 23:25:56
by
wyj9883
[
Vasp&Me
]
【求助】重金求助VASP5.2源程序和其对应的势!!!
(
1
2
3
4
)
(33/2928)
Wanghui6383
2009-06-05
2009-07-11 22:56:07
by
wyj9883
[
Siesta&
]
【求助】优化时,如何正确设定固定原子
(2/410)
fangyongxinxi
2009-07-10
2009-07-11 21:14:25
by
fangyongxinxi
[
MS
]
【求助】au_amu是什么意思
(0/359)
pengxian_lu
2009-07-11
2009-07-11 16:28:19
by
pengxian_lu
[
Vasp&Me
]
【讨论】晶格常数优化(考虑自旋和不考虑)
(
1
2
3
)
(评阅+2)
(26/1944)
sunray55
2009-03-12
2009-07-11 11:38:10
by
guanyazhuo
[
MS
]
【求助】PDOS问题
(
1
2
)
(15/931)
shelay
2009-07-01
2009-07-11 10:52:13
by
六198
[
MS
]
【求助】磁性材料问题
(4/458)
shelay
2009-06-27
2009-07-11 10:43:12
by
六198
[
Siesta&
]
【求助】siesta中的atom程序该怎样编译
(3/553)
Huanhuan5360
2009-05-05
2009-07-11 07:36:22
by
hongjw04
[
Siesta&
]
【讨论】SIESTA算金属需要注意些什么阿
(2/289)
beyondstar
2009-05-25
2009-07-11 07:34:20
by
hongjw04
[
其他
]
【求助】<orbital interactions in chemistry>
(3/340)
csfn
2009-06-30
2009-07-10 22:21:32
by
yjr
[
Vasp&Me
]
【求助】vasp 可以算含4f电子的体系吗?
(2/331)
emily6526
2009-07-10
2009-07-10 17:54:42
by
emily6526
[
MS
]
【求助】掺杂建模问题
(
1
2
)
(11/820)
shelay
2009-07-08
2009-07-10 13:27:29
by
combetter
[
Abinit
]
【求助】ABINIT电荷密度
(2/227)
whyyzf5725
2009-07-10
2009-07-10 11:59:23
by
wenjlu
[
Abinit
]
【求助】ABINIT热力学性质
(0/269)
whyyzf5725
2009-07-10
2009-07-10 11:42:41
by
whyyzf5725
[
Siesta&
]
【求助】ATK运行处错是怎么回事啊?
(2/240)
panjinbo87
2009-07-08
2009-07-10 11:06:03
by
TIGERYZZ
[
MS
]
【求助】振动频率求解方法
(2/221)
shaopeng6539
2009-07-09
2009-07-10 10:31:47
by
shaopeng6539
[
MS
]
【求助】如何在模型中考虑负应力(拉力)
(2/259)
fangyongxinxi
2009-07-08
2009-07-10 09:22:22
by
fangyongxinxi
[
MS
]
【求助】有关Castep的
(8/379)
hzy900211
2009-07-05
2009-07-09 22:46:57
by
hzy900211
[
Siesta&
]
【讨论】HOMO和LUMO随偏压移动的物理本质
(5/620)
fan0221
2009-05-12
2009-07-09 22:01:00
by
fanjing_83
[
MS
]
【求助】【求助】MS计算“光频声子”的问题
(2/178)
lcl211
2009-07-07
2009-07-09 20:06:58
by
wuchenwf
[
其他
]
【求助】Gaussia读取hyperchem文件出错
(0/184)
贾茜
2009-07-09
2009-07-09 19:43:36
by
贾茜
[
MS
]
【求助】MS进行粉末精修
(3/596)
xuyawen3893
2009-07-07
2009-07-09 18:58:08
by
lindlar0078
[
MS
]
【求助】怎么根据带结构图判断导带价带满不满
(4/595)
zhxd86
2009-07-08
2009-07-09 17:35:44
by
yanzi8551
[
MS
]
【求助】怎样对态密度进行积分运算
(4/916)
yuandi1979
2009-07-09
2009-07-09 16:21:02
by
cbFeng200881
[
MS
]
【求助】energy计算失败
(6/401)
shaopeng6539
2009-07-08
2009-07-09 15:35:51
by
shaopeng6539
[
MS
]
【求助】关于用discover分析纳米管弹性常数的问题
(0/184)
kejecx
2009-07-09
2009-07-09 14:53:18
by
kejecx
[
MS
]
【求助】怎么建立薄膜模型
(3/455)
ljhlj
2009-07-07
2009-07-09 14:46:38
by
mouse3511
[
其他
]
【求助】高手进来看下这是什么错,关于linux
(1/150)
xiaowandouer
2009-07-09
2009-07-09 14:38:11
by
xiaowandouer
[
MS
]
【求助】analysis后出错
(2/158)
shaopeng6539
2009-07-09
2009-07-09 14:24:21
by
shaopeng6539
[
其他
]
【其他】第一性原理版暑期值班报名帖
(
1
2
)
(金币≥65535)
(12/107)
wuchenwf
2009-07-04
2009-07-09 11:44:35
by
freshgirl
[
Siesta&
]
【求助】问如何优化Two-Probe System构象并计算相关性质
(2/225)
Hewei
2009-06-27
2009-07-09 08:14:18
by
lyp0801
[
Vasp&Me
]
【求助】VASP 能带图的绘制
(2/568)
学员GfVvwa
2009-07-08
2009-07-09 07:58:18
by
六198
[
MS
]
【求助】掺杂计算问题
(7/647)
nicholasyp
2009-07-06
2009-07-09 05:38:45
by
nicholasyp
[
MS
]
【求助】AgZn3的晶格结构
(6/437)
lljbest
2009-06-28
2009-07-08 22:26:02
by
hchfox
[
MS
]
[关贴]
【求助】MS4.1 Linux 版安装文件与授权文件
(1/245)
davy1980
2009-07-08
2009-07-08 21:44:31
by
amoxyz
[
Siesta&
]
【求助】在ATK环境下画能带图的一点小疑问
(5/428)
wutingting5283
2009-07-07
2009-07-08 19:57:04
by
wutingting5283
[
MS
]
【讨论】一个关于基组设置的问题
(
1
2
)
(13/787)
wmm-11
2009-07-07
2009-07-08 18:09:39
by
wmm-11
[
MS
]
【求助】原子坐标导入问题
(1/265)
singlefly
2009-07-08
2009-07-08 18:01:41
by
老虎大王
[
MS
]
【求助】Ag-Zn 化合物的晶格参数及参考文献
(3/247)
lljbest
2009-06-22
2009-07-08 16:27:52
by
meimeidyh
【求助】MS重新运行紧急求助
(3/204)
yuandi1979
2009-07-08
2009-07-08 16:21:42
by
yuandi1979
[
MS
]
【求助】CASTEP几何优化中calculating total energy with cut-off of 330ev什么意思
(2/232)
学员TtYAjP
2009-07-08
2009-07-08 16:09:39
by
meimeidyh
[
MS
]
【求助】用discover能算什么性质
(1/151)
shaopeng6539
2009-07-08
2009-07-08 16:07:07
by
qasd
[
MS
]
【求助】MS 中的*.kptaux文件
5
(0/219)
amanda3536
2009-07-08
2009-07-08 15:13:32
by
amanda3536
[
Vasp&Me
]
【求助】关于参杂氢键的建模问题
(4/348)
xiong_eyecan
2009-07-08
2009-07-08 14:29:05
by
阿勇
【求助】分析castep结果时出错,请求帮忙!奖金币2!
(2/146)
meimeidyh
2009-07-08
2009-07-08 14:16:21
by
hebut
[
MS
]
【求助】关于计算电离能、电子亲和势,以及单个电子的能量?
(
1
2
)
(16/1384)
wmm-11
2009-06-01
2009-07-08 13:57:53
by
wmm-11
[
MS
]
【求助】Castep光学计算
(2/296)
2008210014
2009-07-07
2009-07-08 12:57:08
by
laohaoren2802
[
MS
]
【分享】更快捷的表面创建方法
(评阅+1)
(3/260)
fuzp
2009-07-06
2009-07-08 11:11:22
by
zhangfan2192
[
MS
]
【讨论】电子结构图的制作
(
1
2
)
(17/1484)
sss3012
2009-06-25
2009-07-08 08:56:49
by
qli0218
[
Vasp&Me
]
【求助】关于磁性计算
(
1
2
)
(13/935)
含草
2009-06-14
2009-07-08 08:19:31
by
六198
[
MS
]
【求助】在Castep计算中如何得到 enthalpy vs time 的图?
(1/214)
golden22
2009-07-08
2009-07-08 07:02:45
by
condensed
[
其他
]
【求助】2cpu机器配置及报价
(4/271)
bearpow
2009-07-07
2009-07-07 21:55:20
by
ytu_cyc
[
MS
]
【求助】4H-SiC如何建模
(8/913)
jiarenxu
2009-07-05
2009-07-07 19:53:40
by
wendaoliuxu
[
MS
]
【求助】求助P单晶和P2O5的空间群晶体结构
(4/532)
s638638
2009-07-06
2009-07-07 19:49:30
by
wendaoliuxu
[
MS
]
【求助】有人用MS计算过红外光谱吗?
(2/301)
greekgreekgeng
2009-07-07
2009-07-07 19:46:22
by
wendaoliuxu
[
MS
]
MS4.3 UPDATE1---------解决“this version has expired “
(4/283)
zzgyb
2008-11-17
2009-07-07 11:29:30
by
zxzj05
[
Vasp&Me
]
【求助】请问这个错误是什么情况???
(9/1094)
小艾丫丫
2009-07-05
2009-07-07 11:29:20
by
zxzj05
[
Abinit
]
【求助】abinit能算力常数矩阵吗?
(
1
2
)
(11/760)
oytxtu
2009-07-05
2009-07-07 11:28:57
by
zxzj05
[
Vasp&Me
]
【求助】vasp+U计算时Nd的U和J应取多少,怎样获得?
(1/339)
zyjsky01
2009-07-06
2009-07-07 09:03:11
by
liluyan
[
MS
]
【求助】MS运行错误
(7/674)
jghe
2009-07-06
2009-07-06 19:35:09
by
zhaohscas1976
[
Vasp&Me
]
【讨论】U值是怎么确定的?
(
1
2
)
(18/2197)
zhangdelin0000
2009-06-23
2009-07-06 18:40:40
by
zyjsky01
[
其他
]
【求助】急求:组建机群的详细设置
(7/461)
yxcai
2009-07-05
2009-07-06 17:32:08
by
yxcai
【求助】请教关于购买服务器的问题
(
1
2
3
)
(29/1040)
Ado
2009-06-16
2009-07-06 17:01:50
by
ISYS
[
MS
]
【求助】CASTEP表面优化报错,请教!!
(2/327)
haibo23
2009-07-04
2009-07-06 16:22:31
by
mouse3511
[
MS
]
【讨论】跑完动力学生成文件讨论
(4/306)
shaopeng6539
2009-07-06
2009-07-06 13:01:51
by
qasd
[
Vasp&Me
]
【讨论】求态密度的具体操作
(1/296)
405963512
2009-07-01
2009-07-06 09:41:51
by
xiaojie7783
[
MS
]
【求助】速度自相关函数分析问题
(6/590)
shaopeng6539
2009-06-29
2009-07-06 08:54:35
by
shaopeng6539
[
Vasp&Me
]
【讨论】磁性计算dos分析(参与有奖)
(8/959)
leoaqu
2009-06-26
2009-07-06 08:06:35
by
六198
[
MS
]
mesodyn群, 67368399,欢迎加入!
(3/299)
index2008
2008-08-03
2009-07-05 18:32:01
by
cucoo
[
其他
]
【原创】zxzj05 斑竹,请来看一下,O(∩_∩)O哈哈~
(金币≥65535)
(0/10)
wangen994
2009-07-05
2009-07-05 16:51:00
by
wangen994
【求助】适合CASTEP计算的双原子离子晶体物质
(0/107)
Huanhuan5360
2009-07-05
2009-07-05 16:35:57
by
Huanhuan5360
【求助】怎样在单胞中替换原子
(9/799)
ping888
2009-06-07
2009-07-05 16:09:35
by
ping888
[
MS
]
【求助】大家推荐下适合用CASTEP计算双原子离子晶体的物质,
(0/97)
Huanhuan5360
2009-07-05
2009-07-05 15:22:41
by
Huanhuan5360
[
MS
]
【求助】MS4.4license问题
(7/1278)
ljyang320
2009-06-27
2009-07-05 15:18:13
by
topten-gg
[
Vasp&Me
]
【求助】铁电极化计算
(2/314)
nownok
2009-07-05
2009-07-05 14:25:13
by
nownok
[
MS
]
【求助】DPD结果如何做X射线衍射?
(2/200)
Dream-weaver
2009-05-20
2009-07-05 13:24:32
by
qasd
9051
43/91
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