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[
热点
]
某系主任被同校教授举报包养情妇、长期嫖娼
zju2000
2024-04-20
刚刚
[
Abinit
]
vasp5.2运行终止
5
(5/1702)
guoshukuan
2011-12-25
2013-06-19 16:53:36
by
暖暖67
[
Abinit
]
[已完结]
求K的模守恒赝势文件
(4/662)
gynan2008
2013-05-29
2013-05-31 09:43:29
by
gynan2008
[
Abinit
]
[已完结]
请教angdeg 和rprim的问题
(6/1015)
qbaiyi
2013-05-20
2013-05-22 08:42:23
by
qbaiyi
[
Abinit
]
[已完结]
问个问题
(1/230)
fengshiquan
2013-05-17
2013-05-17 11:11:59
by
fengshiquan
[
Abinit
]
[已完结]
学习abinit遇到的问题,关于表面能的计算
(4/623)
qbaiyi
2013-05-15
2013-05-15 13:54:27
by
qbaiyi
[
Abinit
]
请教gaussian计算化学反应的问题
50
(2/966)
Gwax07
2013-05-07
2013-05-10 14:56:07
by
贺仪
[
Abinit
]
abinit中六角晶系的K空间剖分怎么确定?
20
(2/492)
天气就是风景
2013-05-03
2013-05-08 22:48:02
by
pariah
[
Abinit
]
abinit7.2.1安装
(2/797)
WDD880227
2013-05-03
2013-05-03 16:15:16
by
gzl9901
[
Abinit
]
【求助成功】abinit 计算CaO能带结构图,间接带隙直接带隙问题
(9/2212)
fanny0007
2011-03-14
2013-04-25 16:56:22
by
fengshiquan
[
Abinit
]
加压优化后能量更高????。。。。
8
(5/804)
若博特
2013-04-18
2013-04-25 15:01:50
by
yinwei_li
[
Abinit
]
最新abinit-7.2.1版本
(4/1996)
lindlar0078
2013-04-24
2013-04-25 10:00:22
by
lyqwin
[
Abinit
]
【求助】abinit问题(anaddb无法使用)
(3/684)
sanwen9
2010-05-29
2013-04-19 06:49:46
by
123书生情缘
[
Abinit
]
求iodine 的paw 赝势
25
(2/299)
newness
2013-04-16
2013-04-17 03:29:57
by
newness
[
Abinit
]
计算不同压强的弹性常数如要如何设置变量啊?
2
(1ST强帖+1)
(2/611)
gynan2008
2013-04-08
2013-04-16 19:02:55
by
sars518
[
Abinit
]
【求助】加压优化计算
1
(9/1596)
xsw841020
2010-12-30
2013-04-16 19:00:32
by
sars518
[
Abinit
]
【求助】abinit 运行
20
(9/1056)
xsw841020
2010-12-03
2013-04-16 16:11:21
by
dxf_dxf_dxf
[
Abinit
]
ABINIT官网上的赝势不能下载
4
(3/791)
yy08
2012-08-13
2013-04-16 10:05:04
by
ustcdw
[
Abinit
]
【求助】请问,aninit计算怎么算正常结束?
(9/1303)
mengfc
2011-04-06
2013-04-16 10:04:16
by
ustcdw
[
Abinit
]
[已完结]
声子谱计算求助
(3/989)
fengshiquan
2013-04-06
2013-04-08 10:13:19
by
若博特
[
Abinit
]
求助高手,关于ABINIT计算声子谱的问题
10
(0/512)
若博特
2013-04-08
2013-04-08 10:06:04
by
若博特
[
Abinit
]
【求助】有关phonon linewidth
4
(2/833)
xijinyang
2010-09-26
2013-04-08 07:20:14
by
随便注册
[
Abinit
]
Abinit计算中的一些问题
3
(7/1325)
yanrong_88
2013-04-04
2013-04-07 16:49:32
by
yanrong_88
[
Abinit
]
利用Abinit计算介电函数
8
(8/1031)
yanrong_88
2013-04-04
2013-04-07 16:48:16
by
yanrong_88
[
Abinit
]
Abinit GGA+U问题
5
(1/540)
whw19850730
2013-03-19
2013-04-06 00:17:37
by
pariah
[
Abinit
]
【求助成功】声子能带和声子谱的联系
(
1
2
)
(16/2465)
qiqi2926
2010-07-05
2013-04-01 11:49:40
by
随便注册
[
Abinit
]
rf计算遇到的问题
5
(2/417)
gynan2008
2013-03-28
2013-03-31 20:43:07
by
Local_Spin
[
Abinit
]
[已完结]
在线等!tutorial test 1 H2 计算总能 只有log,没有其他!(已解决)
(2/607)
charles0116
2013-03-24
2013-03-24 18:07:32
by
charles0116
[
Abinit
]
如何计算clamped-ion 和free_stress 状态下的介电常数
4
(4/1365)
huleii
2013-02-08
2013-03-23 04:57:43
by
tangosnow
[
Abinit
]
[已完结]
关于晶体优化问题
(6/1688)
gynan2008
2013-03-13
2013-03-21 21:15:26
by
Local_Spin
[
Abinit
]
【求助】Abinit计算中断后怎么接着算?
(5/706)
mazuju028
2010-12-06
2013-03-21 17:40:58
by
newness
[
Abinit
]
LDA的over binding和GGA
5
(6/796)
tangosnow
2013-02-08
2013-03-14 20:29:23
by
fyz7232
[
Abinit
]
用ab initial 计算的分子之间的势能曲线(或势能面)准确度高吗?
(1/761)
zhuzhisurpa
2013-03-05
2013-03-14 19:01:09
by
kongyan21th
[
Abinit
]
abinit 赝势无法下载
5
(1/523)
whw19850730
2013-03-14
2013-03-14 18:28:38
by
kongyan21th
[
Abinit
]
[已完结]
关于abinit windows版
(5/1418)
mansamsung8113
2011-12-12
2013-03-14 16:11:53
by
kongyan21th
[
Abinit
]
计算半导体能带
(
1
2
)
2
(11/1095)
xxxj
2012-11-14
2013-02-10 11:55:34
by
qq364085265
[
Abinit
]
【求助】关于abinit计算RF的请教:介电张量和振动频率的指认
21
(3/503)
identation
2010-10-03
2013-02-09 00:51:02
by
tangosnow
[
Abinit
]
[已完结]
晶体优化结果有问题
(1/453)
gynan2008
2013-01-07
2013-02-08 10:54:13
by
tangosnow
[
Abinit
]
【求助】abinit计算RF时出错
5
(1/597)
xijinyang
2010-10-13
2013-02-08 08:47:12
by
huleii
[
Abinit
]
【求助】abinit 内存要2.73G,算不动咋办?
3
(10/1328)
oscar5667
2011-01-18
2013-02-07 00:25:44
by
ljludwig
[
Abinit
]
[已完结]
系统问题
(8/432)
abel_zhao
2013-01-07
2013-02-05 10:32:00
by
abel_zhao
[
Abinit
]
[已完结]
用abinit计算表面吸附怎么样?
(0/532)
vallen
2013-01-29
2013-01-29 23:40:36
by
vallen
[
Abinit
]
[已完结]
Abinit 声子总态密度和分态密度是怎么画的?
(4/781)
月空星痕
2012-11-28
2013-01-26 08:39:05
by
huleii
[
Abinit
]
怎么计算Raman coefficient.急!!!!!!
15
(4/382)
crante
2013-01-24
2013-01-24 19:51:03
by
crante
[
Abinit
]
[已完结]
如何用abinit算 Bader charge ?
(1/536)
sulei0
2012-06-09
2013-01-24 12:20:15
by
voleyes
[
Abinit
]
abinit 中用molecule dynamics怎么键入命令启动呢?
4
(1/250)
天气就是风景
2012-10-28
2013-01-24 12:09:50
by
voleyes
[
Abinit
]
台湾中正大学abinit_bm,abinit_str,abinit_dos和abinit_ldos
2
(0/248)
huleii
2013-01-22
2013-01-22 08:59:28
by
huleii
[
Abinit
]
[已完结]
怎么找材料的详细数据(能带,结构参数等等)
(
1
2
)
(11/2641)
sheng-1991
2012-09-04
2013-01-15 12:17:43
by
zhuchunlli
[
Abinit
]
abinit中in 文件里面rprim如何确定?
3
(4/689)
gynan2008
2012-12-25
2013-01-07 23:58:45
by
天气就是风景
[
Abinit
]
求推荐有色金属学报的审稿人啊
30
(1/329)
luokang
2013-01-07
2013-01-07 14:27:42
by
luokang
[
Abinit
]
[已完结]
关于abinit的优化问题
(3/846)
gynan2008
2012-11-22
2013-01-05 17:08:47
by
天气就是风景
[
Abinit
]
求助关于能带的标识
5
(3/384)
pariah
2012-12-11
2013-01-05 16:37:32
by
天气就是风景
[
Abinit
]
[已完结]
in 文件错误
(5/460)
gynan2008
2013-01-03
2013-01-04 14:32:07
by
gynan2008
[
Abinit
]
[已完结]
求助一个关于声子谱计算的问题。。。。。
(1/291)
若博特
2013-01-04
2013-01-04 09:40:33
by
souledge
[
Abinit
]
[已完结]
最简单的结构优化
(2/301)
gynan2008
2012-12-20
2013-01-03 11:38:12
by
gynan2008
[
Abinit
]
abinit-6.12.3
(1/538)
k_now
2012-06-03
2012-12-30 09:27:37
by
huilaoshu999
[
Abinit
]
ABIBIT 出新版本了 可以算许多新模块 好像很牛啊
(
1
2
)
(评阅+2)
(11/1342)
mrd-81
2012-11-27
2012-12-29 22:32:20
by
vv_china
[
Abinit
]
Abinit 能不能计算过渡态结构?
(2/339)
voleyes
2012-12-24
2012-12-24 21:11:43
by
souledge
[
Abinit
]
[已完结]
输入文件中的原子位置怎么写
(4/1008)
gynan2008
2012-12-12
2012-12-14 09:51:59
by
若博特
[
Abinit
]
MS中 TiO2 纳米管如何建模
10
(0/524)
鱼落凡间6016
2012-12-13
2012-12-13 17:53:30
by
鱼落凡间6016
[
Abinit
]
[已完结]
菜鸟求助关于加压优化的问题。。。
(5/840)
若博特
2012-12-04
2012-12-10 17:12:09
by
若博特
[
Abinit
]
ABINIT的并行效率着实不高
(6/976)
Toapollo
2012-09-22
2012-12-07 02:21:14
by
tangosnow
[
Abinit
]
【求助】请问各位高手ABINIT输出的Pressure 代表什么压力 和做压力计算有关吗
(9/1227)
mrd-81
2010-10-13
2012-12-04 07:07:23
by
若博特
[
Abinit
]
[已完结]
请求帮助,Abinit运行时遇到的问题
(5/528)
meyhf
2012-11-26
2012-11-30 19:39:42
by
mailoliver
[
Abinit
]
声子谱计算光学支问题---求高手指导
30
(0/1368)
月空星痕
2012-11-23
2012-11-23 17:19:37
by
月空星痕
[
Abinit
]
用abinit 试着计算一个氢分子的激发态时 遇到的错误
6
(2/292)
meyhf
2012-11-20
2012-11-21 10:32:51
by
meyhf
[
Abinit
]
[已完结]
计算NIAL-简单立方结构声子出问题!在线等~~~~~
(3/698)
月空星痕
2012-11-19
2012-11-20 10:46:55
by
月空星痕
[
Abinit
]
一篇全面介绍abinit功能的文章-CPC(30多页)
(6/1243)
lyqwin
2012-11-10
2012-11-13 09:37:46
by
synu
[
Abinit
]
[已完结]
Abinit中shiftk,kptrlatt 的用法
(2/380)
meyhf
2012-11-06
2012-11-06 18:35:20
by
meyhf
[
Abinit
]
abinit计算弹性常数的几个小问题
15
(3/991)
gynan2008
2012-10-25
2012-11-01 05:48:17
by
tangosnow
[
Abinit
]
[已完结]
abinit能带作图
(2/486)
gynan2008
2012-10-29
2012-10-30 15:20:21
by
gynan2008
[
Abinit
]
[已完结]
ABINIT计算时写输入文件,nband是如何计算的?
(3/779)
gynan2008
2012-10-22
2012-10-23 02:00:21
by
Toapollo
[
Abinit
]
ABINIT 求助声子画图问题
5
(1/431)
月空星痕
2012-10-17
2012-10-22 05:54:29
by
Toapollo
[
Abinit
]
有关nshiftk和shiftk点的设置问题
4
(2/518)
maomaotu9315
2012-10-20
2012-10-20 23:17:20
by
Toapollo
[
Abinit
]
关于abinit输入文件问题
1
(3/500)
maomaotu9315
2012-10-14
2012-10-16 22:29:12
by
hzj12399
[
Abinit
]
abinit 6.12.3版本在linux下的安装流程
10
(1/822)
maomaotu9315
2012-10-16
2012-10-16 12:55:37
by
lindlar0078
[
Abinit
]
安装abinit 6.12出现的情况,急求助?
(3/1229)
techfan
2012-05-29
2012-10-15 21:11:51
by
maomaotu9315
[
Abinit
]
ABINIT 求助声子计算问题 instrng ERROR,求高手指点!!!在线等~~~
5
(2/547)
月空星痕
2012-10-15
2012-10-15 16:33:13
by
月空星痕
[
Abinit
]
高斯计算有机物异构体的问题
5
(0/452)
w50082007
2012-10-15
2012-10-15 14:26:39
by
w50082007
[
Abinit
]
菜鸟新手求问abinit的安装问题
2
(2/347)
serpplu
2012-10-09
2012-10-09 13:27:11
by
pariah
[
Abinit
]
如何加电场
3
(1/515)
maomaotu9315
2012-10-05
2012-10-06 09:36:03
by
tangosnow
[
Abinit
]
[已完结]
tunnel splitting
(1/295)
z6242948
2012-09-25
2012-09-25 17:14:31
by
mywtfmp3
[
Abinit
]
金属酶抑制剂求助 谢谢
1
(0/234)
红色石头6739
2012-09-20
2012-09-20 15:23:37
by
红色石头6739
[
Abinit
]
【求助】ABINIT如何计算红外、拉曼光谱?
(1ST强帖+1)
(9/2351)
identation
2010-03-19
2012-09-18 09:00:00
by
mywtfmp3
[
Abinit
]
自旋轨道耦合的计算费米能级的位置总是比文献中高一些,纠结
5
(1/576)
80150081
2012-06-19
2012-09-11 20:54:46
by
sars518
[
Abinit
]
运行Abinit,提示illegal instruction是怎么回事
10
(0/183)
lufly89
2012-09-06
2012-09-06 10:17:42
by
lufly89
[
Abinit
]
[专家]
[已完结]
Abinit计算声子问题
(
1
2
)
(10/2037)
souledge
2011-12-10
2012-09-05 05:43:49
by
future_wl
[
Abinit
]
求关注!!如何把MS中的图形导入其他软件中,直接读取键长键角数据呢?
7
(7/1546)
415999915
2012-04-18
2012-08-11 08:16:41
by
水晶蚂蚁
[
Abinit
]
[关贴]
求MASP linux并行软件 及相关模块的学习资料
(7/658)
026li
2012-05-16
2012-07-24 11:52:47
by
wanwanq
[
Abinit
]
自旋极化
2
(0/843)
janet2012222
2012-07-18
2012-07-18 09:51:09
by
janet2012222
[
Abinit
]
用vasp+phonopy计算声子能带,请教如何设置声子能带数?
1
(1/808)
yayanoba
2012-07-03
2012-07-04 18:30:08
by
souledge
[
Abinit
]
Abinit 计算时rprim的疑惑
(8/1636)
pariah
2011-09-02
2012-06-26 20:41:23
by
ljludwig
[
Abinit
]
晶向问题
(0/277)
laohu314422
2012-06-26
2012-06-26 16:20:47
by
laohu314422
[
Abinit
]
急求问题:abinit计算弹性常数的方法
5
(0/289)
yjwyjwyjw
2012-06-23
2012-06-23 16:39:40
by
yjwyjwyjw
[
Abinit
]
求助如何用abinit算bader charge???
7
(2/277)
yangzhenhui
2012-06-08
2012-06-08 23:22:04
by
yangzhenhui
[
Abinit
]
集群计算
5
(2/378)
janet2012222
2012-06-06
2012-06-07 14:43:12
by
janet2012222
[
Abinit
]
MAGMOM 取大 取小
(评阅+10)
(9/728)
guoshukuan
2012-05-19
2012-06-06 21:11:42
by
casjxm
[
Abinit
]
[已完结]
请问abinit可以算bader effective charge吗,如何算啊?求指教!
(4/802)
yangzhenhui
2012-06-03
2012-06-04 17:32:56
by
sars518
[
Abinit
]
【已解决】想利用abinit计算声子谱
(
1
2
)
(评阅+1)
(15/2365)
qiqi2926
2010-06-17
2012-06-04 05:50:11
by
kuangfg1987
[
Abinit
]
安装mpc出现了问题,求解决
10
(0/259)
k_now
2012-05-31
2012-05-31 17:10:30
by
k_now
711
4/8
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