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    [热点] 康复大学泰山学者周祺惠团队招收博士研究生 北斗星空cxh 2025-12-06 刚刚
    [Siesta& ] 【求助】 怎样确定中心距离? (6/664) sw-2384 2009-11-27 2009-12-05 22:16:17 by fangyongxinxi
    [其他] 【讨论】准简谐近似(Quasiharmonic approximation) (2/747) gaoguoying1981 2009-12-02 2009-12-05 21:54:36 by 老虎大王
    [Abinit] 【求助】windows版本的abinit能带输入和输出怎么写? (2/294) wyez 2009-12-05 2009-12-05 21:53:12 by identation
    [MS] 【求助】*.chrgm文件求助 (3/1059) carlaty 2009-11-17 2009-12-05 17:48:41 by xtrlcj
    [Vasp&Me ] 【求助】VASP程序的编译问题(生成可以移植的)    ( 1 2 ) 1 (11/764) hookah 2009-12-02 2009-12-05 16:38:09 by 灯塔守望者
    [Vasp&Me ] 【求助】读CHGCAR里的数据 (评阅+1) (8/1080) yunml 2009-12-04 2009-12-05 13:30:22 by 灯塔守望者
    [MS] 【分享】MS4.4在Linux系统下的安装问题 (评阅+2) (2/521) quangel 2009-12-04 2009-12-05 12:03:46 by quantumfang
    [MS] 【求助】MS出现这个问题是怎么回事, (6/415) nwpu_1223 2009-12-04 2009-12-05 11:21:52 by nwpu_1223
    [Siesta& ] 【求助】传输光谱的数值怎么都是0呢? (8/492) sw-2384 2009-12-03 2009-12-05 11:05:24 by sw-2384
    [MS] 【求助】material studio dmol3提交任务后出现cmd进程 不能运行 4 (4/531) canbill 2009-12-04 2009-12-05 10:49:36 by canbill
    [MS] 【求助】【讨论】请问Msmodeling里面的power refflection是免费的么? (6/348) martin6 2009-12-03 2009-12-05 09:38:13 by aylayl08
    [Vasp&Me ] 【求助】Milliken布局数分析 (评阅+1) (2/551) tiantian2921 2009-12-04 2009-12-04 21:56:21 by hchfox
    [MS] 【求助】合金体系做MD用什么力场合适? (6/572) huangyc 2009-09-02 2009-12-04 21:45:42 by zxzj05
    [MS] 【求助】怎样算吸附? (4/421) liuhuan2017 2009-12-03 2009-12-04 21:01:14 by pumf
    [MS] 【求助】MS 4.4 Vista安装问题    ( 1 2 ) 5 (10/774) minicalf 2009-10-18 2009-12-04 20:47:47 by minicalf
    [MS] 【求助】请问计算金属Ga的表面性能应该用什么力场 (3/256) li_xinjiang 2009-04-02 2009-12-04 20:00:16 by zxc1230
    [MS] 【求助】MS4.0手动设置力场~ (1/371) fyqfyh82 2009-03-16 2009-12-04 19:58:34 by zxc1230
    [MS] 【求助】doml3优化结构 (7/973) number1xu 2009-12-01 2009-12-04 19:49:49 by study163
    [MS] 【求助】请问各位高手ms中,哪个模块可以对体系加力场 5 (1/302) 静峰 2009-10-05 2009-12-04 19:46:36 by zxc1230
    [MS] 【求助】力场问题 (7/610) shaopeng6539 2009-10-21 2009-12-04 19:44:54 by zxc1230
    [MS] 【讨论】关于计算graphene的方法 20 (2/357) nicholasyp 2009-12-04 2009-12-04 19:28:49 by 405963512
    [MS] 【求助】请教discover跑完动力学后的径向分布函数图? (5/405) 77585218358 2009-12-04 2009-12-04 19:20:52 by huangyc
    [MS] 【求助】如何建石墨烯模型。    ( 1 2 ) 18 (11/909) dreampursuer 2009-12-03 2009-12-04 19:19:47 by watermall
    [其他] [关贴]【区庆-重奖征文】【缘聚虫坛】讲述我与小木虫的故事    ( 1 2 3 4 5 ) (评阅+110) (41/2211) aylayl08 2009-11-16 2009-12-04 16:38:39 by brian125
    [其他] 【讨论】物理学报的要求 (2/306) 徐亮8090 2009-12-04 2009-12-04 16:13:17 by 徐亮8090
    [Abinit] 【求助】表面能计算不准确的问题 5 (0/170) zhangmse 2009-12-04 2009-12-04 16:07:24 by zhangmse
    [MS] 【求助】连续计算 4 (2/140) wuhaigang 2009-12-04 2009-12-04 16:00:48 by wuhaigang
    [关贴]【原创】Bader 电荷转移 (评阅-2) (7/1305) qkzh3091 2009-12-02 2009-12-04 14:50:53 by qkzh3091
    [其他] 【其他】最近量化版有奖活动连续出击,大家回帖就有金币拿,吼吼! (评阅+2) (1/123) yjcmwgk 2009-12-04 2009-12-04 14:38:29 by aylayl08
    [MS] 【求助】请问零点能是否就是零温时的基态能量? (3/877) mazuju028 2009-12-04 2009-12-04 14:29:29 by mazuju028
    [MS] 【求助】DMOL算出来的这些东东是原子轨道吗? (2/260) wangyujia 2009-12-04 2009-12-04 11:22:52 by wangyujia
    [其他] [关贴]【求助】求thermal calc (0/360) zhangkun7581 2009-12-04 2009-12-04 11:10:35 by zhangkun7581
    [MS] 【求助】在MS计算得到的DOS图里怎么看费米能级? (评阅+1) (9/7903) leijunfeng 2008-12-22 2009-12-04 10:24:32 by study163
    [MS] 【求助】请教lei0736关于用MS建立位错 (0/264) penn 2009-12-04 2009-12-04 10:23:16 by penn
    [MS] 【求助】MS中用什么工具截取模型 (评阅+1) (5/680) sunzhiguo 2009-11-22 2009-12-04 10:17:53 by study163
    [Vasp&Me ] [关贴]【求助】求文献 (0/98) zhangkun7581 2009-12-04 2009-12-04 09:57:31 by zhangkun7581
    【分享】清华大学化学系计算量子化学讲义(感觉很经典啊,支持一下) (22/1868) 0011608 2009-04-03 2009-12-04 09:38:01 by JUPENT
    [MS] 【求助】properties 中hybridization设置对bandstructure和PDOS有什么影响? (2/219) cenwanglai 2009-12-03 2009-12-04 09:17:58 by cenwanglai
    【分享】分子筛模拟求助 1 (0/156) sunzhiguo 2009-12-04 2009-12-04 08:58:47 by sunzhiguo
    [MS] 【求助】求MS4.4的license (3/457) jorhelwzh 2009-12-03 2009-12-04 08:52:45 by jorhelwzh
    [MS] 【求助】我的优化结果有问题 请教大虾 (0/114) wuhaigang 2009-12-04 2009-12-04 08:13:44 by wuhaigang
    [MS] 【求助】寻找磁矩 (7/512) 徐亮8090 2009-12-03 2009-12-04 07:53:16 by 徐亮8090
    [MS] 【求助】咨询计算超晶胞能量? (评阅+1) (1/238) zhou_2009 2009-12-03 2009-12-04 07:38:57 by identation
    [MS] 【求助】建立替换原子的模型? (评阅+1) (1/199) zhou_2009 2009-12-03 2009-12-03 23:19:39 by acridine
    [MS] 【求助】有谁知道CNT的radical breathing mode怎么计算 2 (2/195) topten-gg 2009-12-03 2009-12-03 22:11:13 by topten-gg
    [MS] 【求助】关于费米能级 10 (3/402) chunying 2009-12-02 2009-12-03 22:02:30 by chunying
    [MS] 【求助】求助关于MS4.4安装问题 (4/346) NUPT 2009-12-03 2009-12-03 20:57:26 by NUPT
    [Vasp&Me ] 【求助】如何查找每个原子的磁矩? (5/1738) ddang100 2009-12-03 2009-12-03 19:08:30 by ddang100
    [QE(Pwsc ] 【求助】画能带图 (3/540) guizi~ 2009-10-06 2009-12-03 19:00:49 by gaoguoying1981
    [QE(Pwsc ] 【求助】No symmetry!怎么回事 (5/668) zhl2967 2009-11-02 2009-12-03 18:57:31 by gaoguoying1981
    [MS] 【求助】InN wur结构的原子坐标位置 6 (3/292) maomaotu9315 2009-12-02 2009-12-03 18:46:14 by aijun0118
    [MS] 【求助】求助 r-Al2O3建模问题 5 (9/534) 学员5dMass 2009-11-26 2009-12-03 17:36:30 by ice_rain
    【讨论】如何使用hyperchem批量优化小分子啊? (评阅+1) (3/398) bbslover 2009-12-01 2009-12-03 17:32:47 by bbslover
    [MS] 【求助】DMOL里面如何指定一个对称性让它进行优化 1 (3/336) topten-gg 2009-12-03 2009-12-03 17:10:44 by daniel2001
    [Abinit] 【求助】怎样算吸附? (0/110) liuhuan2017 2009-12-03 2009-12-03 16:41:33 by liuhuan2017
    [MS] 【求助】dmol TS (0/141) yongli 2009-12-03 2009-12-03 16:03:13 by yongli
    [MS] 【求助】castep 电荷密度 (5/595) sw-2384 2009-10-26 2009-12-03 16:00:11 by laohaoren2802
    精华I【分享】台湾的第一原理計算材料学暑期课程 PPT(还包括上机文件)    ( 1 2 ) (91/4868) wonderflyer 2009-04-26 2009-12-03 15:22:32 by kgdu
    [MS] 【求助】命名出错 (4/255) 点点儿 2009-12-03 2009-12-03 14:28:31 by 点点儿
    [Vasp&Me ] 【求助】如何将VASP的CHGCAR在CASTEP中读出来? 5 (3/491) dadade 2009-11-27 2009-12-03 13:16:47 by dadade
    [MS] 【求助】MS中的log文件问题 (0/121) ltwsn 2009-12-03 2009-12-03 12:45:36 by ltwsn
    [Vasp&Me ] 【求助】六角晶系结构优化问题 (评阅+1) (9/891) ddang100 2009-11-24 2009-12-03 11:02:30 by doudouding
    【求助】求助用materials studio 软件计算TiC晶体中的Ti和C的DOS(Density of State)? (评阅+1) (3/399) zhou_2009 2009-11-25 2009-12-03 10:52:37 by Bronco101
    【分享】分享一直使用的NIST(美国国家标准局)制定的元素周期表    ( 1 2 ) (72/3438) wonderflyer 2009-01-04 2009-12-03 10:50:15 by Bronco101
    【分享】Material Studio培训教程.pdf (17/1761) 迈步从头越 2009-01-16 2009-12-03 10:43:44 by goldstar570
    [Abinit] 【求助】大家认为pi-pi相互作用的本质是什么? (5/1067) yjcmwgk 2009-12-01 2009-12-03 04:01:11 by goodtimega
    [MS] 【求助】MS能够模拟3~6个相同有机小分子的空间聚积状态吗? 17 (8/576) xtdut 2009-11-29 2009-12-02 23:58:16 by fu19871111
    [MS] 【讨论】高分子模拟群,欢迎大家加入 (评阅+2) (3/258) Dream-weaver 2009-12-01 2009-12-02 23:15:19 by lbambool
    [其他] 【求助】吸附活化能与吸附热之间是什么关系,分别是什么概念啊? (0/289) ylww1988 2009-12-02 2009-12-02 21:51:24 by ylww1988
    [MS] 【讨论】阳离子团簇的结合能公式 (3/460) 徐亮8090 2009-12-02 2009-12-02 20:30:11 by topten-gg
    [Abinit] 【求助】说abinit能进行分子动力学计计算是什么意思? (3/437) liuhuan2017 2009-12-02 2009-12-02 19:44:29 by identation
    [MS] 【求助】有关形成能的计算,有经验没经验的都看过来 17 (3/506) hyliu0618 2009-11-30 2009-12-02 19:29:20 by forkn
    [其他] 【讨论】Espresso (6/416) swzhangxd 2009-11-30 2009-12-02 17:45:50 by y1ding
    [其他] [关贴]【求助】刊物的缩写 (评阅-5) (1/308) number1xu 2009-12-02 2009-12-02 17:13:38 by topten-gg
    [MS] 【求助】收敛性测试,误差评估 (2/269) Hector8275 2009-12-01 2009-12-02 16:59:24 by Hector8275
    [MS] 【讨论】从DOS图里分析电子的变化    ( 1 2 ) (11/953) wwj_0905 2009-11-30 2009-12-02 16:31:11 by wwj_0905
    [其他] [关贴]【求助】文章的期数 (0/175) number1xu 2009-12-02 2009-12-02 16:04:53 by number1xu
    [Vasp&Me ] 【求助】有人用过Bader分析过CT吗 (9/809) huangyc 2009-05-26 2009-12-02 16:01:13 by qkzh3091
    [Vasp&Me ] 【求助】【求助】哪种软计算分子中原子电量比较准确? 3 (9/437) martin6 2009-11-30 2009-12-02 13:50:56 by fanchen021
    [QE(Pwsc ] 【求助】运行q2r时出错 (8/938) guizi~ 2009-11-25 2009-12-02 11:39:01 by guizi~
    【求助】用VASP软件并行计算出现的问题 (8/841) minsong 2009-11-23 2009-12-02 11:00:15 by gaoguoying1981
    [Abinit] 【求助】编译abinit-5.8.4p在make这一步出现错误 (4/344) wyez 2009-12-01 2009-12-02 10:33:16 by netx_ray
    [MS] 【求助】bandgap的问题 (7/549) nicholasyp 2009-12-01 2009-12-02 10:01:44 by gaoguoying1981
    [Abinit] 【求助】用abinit算掺杂的体系,体系还存在对称性吗? (3/460) liuhuan2017 2009-12-01 2009-12-02 09:58:53 by liuhuan2017
    [MS] 【求助】键集居数咋算的? (3/482) yugongyishanjin 2009-11-24 2009-12-02 09:20:33 by Hector8275
    [MS] 【求助】关于MS切面! 4 (6/1210) gaofenglili 2009-12-01 2009-12-02 09:14:13 by Hector8275
    [MS] 【求助】建模密度 (5/420) 点点儿 2009-12-01 2009-12-02 08:30:39 by 点点儿
    [其他] [关贴]【求助】请问一下这篇论文的卷数 (0/166) number1xu 2009-12-02 2009-12-02 08:09:44 by number1xu
    [MS] 【求助】10金币急求MS作图! (3/432) gaofenglili 2009-11-30 2009-12-01 22:58:04 by zxzj05
    [MS] 【讨论】32个Ga原子里边一个被Mn原子代替计算出现下面两个对话框 (5/272) btvipvip 2009-12-01 2009-12-01 22:57:56 by zxzj05
    [Abinit] 【求助】哪里看到的费米能级是准确的? (3/365) liuhuan2017 2009-11-15 2009-12-01 22:57:47 by zxzj05
    【求助】如何计算单层的LDOS (3/369) carlaty 2009-12-01 2009-12-01 22:56:42 by zxzj05
    [QE(Pwsc ] 【求助】PWSCF VASP 区别 (5/1594) 小小金书签 2009-11-16 2009-12-01 22:53:31 by gaoguoying1981
    [MS] 【求助】怎么分析计算失败的原因?    ( 1 2 ) (16/1029) cloud9581 2009-10-22 2009-12-01 22:37:14 by cloud9581
    [Siesta& ] 【讨论】siesta中笛卡尔坐标转换成zmatrix坐标 (2/363) fuzp 2009-12-01 2009-12-01 22:35:57 by fuzp
    [Abinit] 【求助】abinit 编译过程出现的问题 5 (8/562) datianzi 2009-07-30 2009-12-01 22:22:59 by wyez
    [MS] 【求助】差分电荷密度 2 (8/822) guifan 2009-09-07 2009-12-01 21:58:30 by laohaoren2802
    [MS] 【求助】态密度图如何画出Px Py Pz这三个方向的分布    ( 1 2 ) (13/2262) 2008210014 2009-11-15 2009-12-01 21:28:52 by hakuna
    [MS] 【求助】ms 哪个版本可以不插网线直接跑的 win7系统 1 (6/335) tonytony823 2009-11-30 2009-12-01 21:16:02 by tonytony823
    [其他] [关贴]【讨论】关于物理学报投稿的问题 (4/266) number1xu 2009-12-01 2009-12-01 21:15:07 by carlaty
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