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    [热点] 硕士和导师闹得不愉快 shouwu_he 2025-12-07 刚刚
    [MS] 【求助】谁用castep算过氧原子的能量啊 5 (5/529) chunying 2009-08-29 2009-09-13 11:30:04 by guifan
    [MS] 【求助】[求助]计算能量时要计算自旋吗? (1/193) hh113 2009-09-13 2009-09-13 11:26:45 by guifan
    [MS] 【求助】纯Mo的电荷密度问题? 1 (7/319) guifan 2009-08-27 2009-09-13 11:17:32 by guifan
    [QE(Pwsc ] 【原创】pwcond.x (0/1099) xirainbow 2009-09-13 2009-09-13 11:16:03 by xirainbow
    [MS] 【求助】关于discover做动力学 6 (1/137) 77585218358 2009-09-12 2009-09-13 09:43:54 by guosy1999
    [MS] 【求助】关于Materials-studio应用 (2/290) liujie1003 2009-09-07 2009-09-13 07:56:08 by hooge
    [Siesta& ] 【求助】vnl version 2008.10版本的说明书 (3/260) hedge 2009-09-09 2009-09-12 22:17:09 by hedge
    [Vasp&Me ] 【求助】cu2o高对称点 (5/361) liluyan 2009-09-06 2009-09-12 21:50:21 by condensed
    [Vasp&Me ] 【求助】vasp5.2激子发光    ( 1 2 ) 9 (13/1167) tfh00 2009-09-10 2009-09-12 20:58:34 by yzcluster
    [Vasp&Me ] 【求助】如何找出bcc结构的高对称点? 5 (3/460) 020080730 2009-09-10 2009-09-12 19:37:07 by 020080730
    [MS] 【求助】计算分子中某原子的轨道磁矩? (6/623) peterman 2009-09-07 2009-09-12 18:02:30 by shenhai1315
    [MS] 【求助】MS原子匹配 (7/563) liujie5631 2009-09-11 2009-09-12 15:19:45 by liujie5631
    [MS] 【讨论】关于钛酸钡相变的一个问题,DFT如何面对与相变物理的矛盾    ( 1 2 ) (评阅+4) (金币≥65535)(16/357) yzcluster 2009-04-21 2009-09-12 14:52:34 by yzcluster
    【求助】一个mpi多机并行的奇怪问题 (4/429) txf8378 2009-09-09 2009-09-12 14:08:10 by richard58272
    [MS] 【其他】请教MS中怎样画纳米线 (9/886) xiaojuan5886 2009-09-09 2009-09-12 14:02:51 by xiaojuan5886
    [MS] 【讨论】大家讨论一下rigid band model (4/703) xiaosi8758 2009-09-11 2009-09-12 12:03:03 by xiaosi8758
    [MS] 【活动通知】高斯和MS的优劣比较【回帖者均有机会获得金币】 (7/647) yjcmwgk 2009-09-11 2009-09-12 11:50:00 by yjcmwgk
    [MS] MS画出的环糊精结构图 (3/769) wanghuacai 2008-12-02 2009-09-12 09:38:30 by yizhaog
    [其他] 【求助】NdxSr(1-x)MnO3晶体结构    ( 1 2 ) (12/612) Wanghui6383 2009-09-06 2009-09-12 00:16:52 by encke
    [MS] 【求助】关于dmol对周期性体系加电场 (1/189) xiaoboy185 2009-09-11 2009-09-11 23:07:34 by topten-gg
    [MS] 【求助】如何看lattice constant 1 (4/540) shaopeng6539 2009-09-11 2009-09-11 23:06:46 by B.C.Wang
    [MS] 【讨论】DMOL3计算所得的电子密度数求和得到的值比实际体系大很多的原因? (6/575) positron 2009-09-11 2009-09-11 22:27:50 by condensed
    [MS] 【求助】MS4.0提交任务至服务器问题 (0/137) iamkz 2009-09-11 2009-09-11 21:46:48 by iamkz
    [MS] 【求助】如何用Dmol3 (MS)做 Molecular electrostatic potentials (2/160) ustc 2009-09-11 2009-09-11 21:28:05 by ustc
    [Vasp&Me ] 【求助】为什么静态计算和原先的磁矩差异如此之大!    ( 1 2 ) (11/1236) jugengfans 2009-08-07 2009-09-11 21:17:53 by jugengfans
    【求助】Atou CAD 2004 有那本书可以教画三维图形? (0/99) lszhi2008 2009-09-11 2009-09-11 20:47:17 by lszhi2008
    [MS] 【求助】求助,castep 计算两个空位的磁性,怎么设置AFM? (1/180) lwwliudan 2009-09-09 2009-09-11 19:55:52 by lwwliudan
    [MS] 【求助】关于MS的问题 (3/254) qifu 2009-09-11 2009-09-11 17:23:48 by zdhlover
    【求助】在用g03算单点能出错!谢谢 3 (1/133) 友风 2009-09-09 2009-09-11 17:22:18 by oldpig
    [MS] 【求助】MS计算求租 (4/416) 静峰 2009-09-09 2009-09-11 17:16:22 by liuxiaocunde
    [MS] 【求助】稿件评审专家 1 (1/189) sss3012 2009-09-11 2009-09-11 15:34:01 by ganlh
    [Siesta& ] 【其他】金属熔化模拟 (3/451) rechill 2009-09-09 2009-09-11 14:54:32 by quantum999
    [MS] 【求助】求助MS问题 2 (7/931) qingsong2262 2009-09-11 2009-09-11 13:16:28 by 徐亮8090
    [Vasp&Me ] 【求助】vesta查看vasp得出的电荷密度面的单位? 2 (4/604) hadone 2009-09-11 2009-09-11 13:11:55 by hadone
    [MS] 【求助】问:Linux下的Materials-studio是否有图形界面?    ( 1 2 ) (10/1314) wangle_xq 2009-09-10 2009-09-11 11:15:12 by hgye
    [Vasp&Me ] 【求助】VASP中的WAVECAR是什么格式么?    ( 1 2 ) (11/1225) hadone 2009-08-30 2009-09-11 10:50:42 by hadone
    [其他] 【求助】求一本电子书! 20 (0/148) qifu 2009-09-11 2009-09-11 10:04:18 by qifu
    【MS求助成功 】【求助】Au(111)表面 (9/825) liujie5631 2009-09-10 2009-09-11 09:29:57 by liujie5631
    [Vasp&Me ] 【求助】静态介电常数算出来有负值?    ( 1 2 ) 14 (16/2457) sure1027 2009-08-11 2009-09-11 08:54:15 by sure1027
    [MS] 【讨论】怎么测量金属材料的Cleavage strength? (0/102) niexiaowu 2009-09-11 2009-09-11 08:16:28 by niexiaowu
    [MS] 【求助】请教linux下安装MS的问题    ( 1 2 3 ) (20/1304) solarman 2009-05-21 2009-09-10 23:22:02 by wangle_xq
    [MS] 【求助】castep中固定晶胞的体积 (3/239) 静峰 2009-09-10 2009-09-10 22:45:55 by B.C.Wang
    [Vasp&Me ] 【求助】LDOS告诉我O也有d电子?? (0/135) wangyujia 2009-09-10 2009-09-10 22:15:37 by wangyujia
    [QE(Pwsc ] 【求助】合金形成的动力学过程(CPMD?)    ( 1 2 ) 1 (10/829) huangyc 2009-09-06 2009-09-10 21:43:30 by huangyc
    [MS] 【求助】使用Dmol3模块出现的错误 (6/438) shaopeng6539 2009-09-10 2009-09-10 21:26:58 by liuxiaocunde
    [MS] 【求助】MS优化结构时出现以下情况(已解决) (0/263) xiaojuan5886 2009-09-10 2009-09-10 21:16:08 by xiaojuan5886
    [MS] 【求助】单个原子能量计算 (6/751) shelay 2009-09-10 2009-09-10 21:05:24 by yxl7016
    [Vasp&Me ] 【求助】关于VASP GW的计算 (5/813) bluce 2009-07-30 2009-09-10 20:14:20 by goodtimega
    [Vasp&Me ] 【求助】VASP dielectric functions 计算结果分析 (7/1070) bluce 2009-06-11 2009-09-10 19:24:45 by tfh00
    [MS] 【求助】MS中的Lattice 格子顶点与原子位置不重合 7 (2/166) 子虚乌有5388 2009-09-10 2009-09-10 17:00:52 by cenwanglai
    [MS] 【求助】掺杂化学势如何计算?    ( 1 2 ) (金币≥50)(17/412) cenwanglai 2009-09-07 2009-09-10 16:24:57 by cenwanglai
    [其他] 【讨论】第一原理申请基金容易吗? (8/613) shxincui518 2009-09-08 2009-09-10 15:01:16 by guohuazhong
    [MS] 【求助】求Louis G. Hector, Jr.教授文献 (3/343) dingyongbo 2009-09-10 2009-09-10 14:39:17 by rogerxiao
    [MS] 【求助】如何在Windows下安装 MS 4.1 16 (7/761) lavinia 2009-09-09 2009-09-10 13:08:24 by cenwanglai
    [Vasp&Me ] 【求助】超胞的优化问题 3 (2/224) 阿勇 2009-09-09 2009-09-10 11:31:31 by 阿勇
    [MS] 【求助】服务器上MS的安装问题 (5/509) 冻冻2007 2009-09-09 2009-09-10 11:31:27 by 冻冻2007
    [MS] 【分享】从DOS中看体系的磁性 (10/675) 学员LmQ9Dy 2009-09-08 2009-09-10 11:21:51 by lizi108
    【求助】怎么计算掺杂原子的磁矩 (1/238) yxl7016 2009-09-06 2009-09-10 08:55:00 by china1949
    [MS] 【求助】MS安装问题 (7/572) 阳光8619 2009-09-06 2009-09-09 22:06:16 by bluesky8588
    [Abinit] 【求助】emission energy (0/115) anney 2009-09-09 2009-09-09 16:03:09 by anney
    [MS] 【求助】跑动力学如何升温升压 2 (2/177) shaopeng6539 2009-09-09 2009-09-09 15:01:50 by shaopeng6539
    [MS] 【求助】计算能量时创建文件夹错误(取消求助,谢谢) (6/379) yongyong2050 2009-09-08 2009-09-09 13:33:36 by qasd
    [其他] 【讨论】请问:大家用VESTA+isotropy做晶体建模么? (9/751) 123qweasd7962 2009-09-07 2009-09-09 12:51:06 by hchfox
    [MS] 【求助】怎样用MS计算原子的化学势 (1/908) pengge 2009-09-07 2009-09-09 11:41:48 by tc1788
    [MS] 【求助】怎么才能得带每种原子的分波态密度?    ( 1 2 ) (12/2055) 学员LmQ9Dy 2009-09-03 2009-09-09 09:33:31 by fangyuan5687
    [MS] 【求助】由双组份的吸附等温线拟合吸附常数 4 (3/447) guosy1999 2009-09-06 2009-09-09 09:26:45 by guosy1999
    [MS] 【求助】建模 (5/391) chen9110 2009-09-08 2009-09-09 09:25:11 by chen9110
    [MS] 【求助】用discover模块,当setup和minimize后方法不一致 1 (1/128) shaopeng6539 2009-09-08 2009-09-09 08:47:16 by qasd
    [MS] 【讨论】内存不足的问题    ( 1 2 ) (14/829) handsome8853 2009-04-16 2009-09-09 07:54:10 by zongyan
    [Siesta& ] 【求助】ATK计算出错 (8/663) anyipeng 2008-12-15 2009-09-09 07:52:04 by zoeinnj
    【求助】并行计算效率    ( 1 2 ) (11/1114) guitar2033 2008-12-08 2009-09-09 07:49:30 by zoeinnj
    [MS] 【求助】计算能力问题 (1/206) shelay 2009-09-08 2009-09-08 22:39:18 by tanloer
    [Vasp&Me ] 【讨论】大家一起来讨论下怎么画电子局域函数(ELF)图    ( 1 2 ) (10/4095) 2008911 2009-09-07 2009-09-08 21:43:54 by hchfox
    [MS] 【求助】如何计算晶体的弹性系数 (9/995) zcq90 2009-09-07 2009-09-08 21:36:45 by giep2008
    [其他] 【求助】poly-si多晶硅的晶体结构&原子坐标 (0/98) smowmaple 2009-09-08 2009-09-08 20:22:49 by smowmaple
    【求助】MS原子匹配 (2/309) liujie5631 2009-09-04 2009-09-08 19:18:43 by yjcmwgk
    [其他] 【求助】怎么在高斯输入文件中设定温度的大小? 5 (0/139) rencuihuan_0212 2009-09-08 2009-09-08 15:52:04 by rencuihuan_0212
    [MS] 【求助】minimize出错 (5/264) shaopeng6539 2009-09-05 2009-09-08 14:44:47 by xmu143
    [Vasp&Me ] 【求助】vasp安装成功后不能运行 (4/484) congmingbing 2009-09-07 2009-09-08 14:39:21 by congmingbing
    [Vasp&Me ] 【求助】VASP报错—— Reciprocal lattice and k-lattice 。。。。    ( 1 2 ) (10/1945) Sassari 2009-09-07 2009-09-08 13:42:00 by dazao
    [MS] 【求助】用discover很慢 (3/295) shaopeng6539 2009-09-04 2009-09-08 13:07:22 by qasd
    [Vasp&Me ] 【讨论】[color=Red]vasp计算问题求解答[/color] (5/710) abcasi 2009-09-07 2009-09-08 12:28:29 by abcasi
    [Vasp&Me ] 【求助】Cs PAW (1/92) qwe1997 2009-09-08 2009-09-08 11:25:34 by wenxuan5788
    [MS] 【求助】minimize跑的步数不够 (2/143) shaopeng6539 2009-09-06 2009-09-08 10:38:17 by 阳光8619
    [MS] 【求助】原子的占有率不为1的情况 1 (5/509) 375713000 2009-09-07 2009-09-08 09:06:54 by liusanbing
    [MS] 【求助】求助MS4.3 10 (3/319) Hello_cl 2009-09-05 2009-09-08 08:32:11 by liuxiaocunde
    [Vasp&Me ] 【求助】vasp跑分子动力学的结果处理 (金币≥10)(4/141) liuchaoren5772 2009-09-07 2009-09-08 00:16:24 by snail594
    【求助】VESTA如何读ELFCAR CHGCAR CHG文件啊 3 (2/383) beyondstar 2009-09-07 2009-09-07 22:31:18 by hadone
    [MS] 【求助】怎样用material studio 计算表面能阿 (6/1095) yizhaog 2009-08-24 2009-09-07 20:59:45 by B.C.Wang
    [MS] 【转帖】MS4.4 (6/520) chen9110 2009-09-04 2009-09-07 18:02:55 by chen9110
    [MS] 【求助】,请问castep可以计算化学势吗?可以的话应该如何计算 (6/830) shiweimei 2008-11-20 2009-09-07 16:33:36 by real8188
    [Vasp&Me ] 【求助】vasp计算磁性,OUTCAR给出的磁矩分布与CHGCAR图不一致。 8 (3/683) tfh00 2009-08-19 2009-09-07 16:20:17 by xiaomagh
    [MS] 【求助】帮忙分析一下态密度图. 急求?    ( 1 2 3 ) (24/2264) yxcai 2009-06-07 2009-09-07 15:37:03 by chenzhao6239
    [QE(Pwsc ] 【分享】Detail of UNIFIED PSEUDOPOTENTIAL FORMAT (评阅+4) (1/547) xirainbow 2009-09-07 2009-09-07 15:13:11 by chenzhao6239
    [Siesta& ] 【求助】VNL使用过程的一些问题 2 (0/156) mybobo 2009-09-07 2009-09-07 14:59:35 by mybobo
    [MS] 【讨论】castep可以算二阶非线性? (2/278) yangkunspace 2009-09-06 2009-09-07 14:38:01 by yangkunspace
    [Vasp&Me ] 【求助】请教两个问题 (1/130) demonching 2009-09-07 2009-09-07 14:33:43 by 六198
    [其他] 【求助】Si(111)7*7重构表面吸附问题? (0/216) yxcai 2009-09-07 2009-09-07 09:04:30 by yxcai
    [其他] 【讨论】为什么一个不可约表示和一个集体震动相对应 (0/68) beyondstar 2009-09-07 2009-09-07 08:29:24 by beyondstar
    [MS] 【讨论】Materials-studio可以在苹果Mac OS X 操作系统上运行吗? (1/599) hours2089 2009-09-06 2009-09-07 04:58:12 by goodtimega
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