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    [热点] 论文投稿,期刊推荐 中原小帕菜 2025-12-07 刚刚
    [MS] 【求助】MS4.4 中的VAMP不能使用 4 (2/163) myetal 2009-09-06 2009-09-06 23:24:50 by myetal
    [其他] 【原创】一万五左右双路计算电脑配置单 (13/965) wuli8 2009-09-05 2009-09-06 22:52:10 by tjyl
    [MS] 【求助】castep在集群上运行的pbs文件 10 (1/137) wuli8 2009-09-06 2009-09-06 21:51:52 by shenxianshifu
    【求助】linux下启动windows    ( 1 2 ) (14/701) Jacksky 2009-08-25 2009-09-06 19:55:59 by jove1782
    [MS] 【求助】关于DND和DNP的区别 (5/1971) lcl211 2009-08-19 2009-09-06 19:14:30 by topten-gg
    [MS] 【求助】如何删除ms里的project (9/1073) shaopeng6539 2009-09-03 2009-09-06 16:15:24 by 林林7356
    [MS] 【求助】可以换模块计算吗 (4/270) shaopeng6539 2009-09-06 2009-09-06 15:15:14 by 2008911
    [MS] 【求助】掺杂问题!可以间隙掺杂吗? (9/2169) cloud9581 2009-08-26 2009-09-06 14:49:13 by 2008911
    [Vasp&Me ] 【求助】怎样将VASP的POSCAR转化为pwscf的scf.in文件呢? (3/490) xinqing98 2009-09-01 2009-09-06 14:08:42 by pingguo802929
    [MS] 【求助】DMOL3模块能否算量子点?? 4 (3/394) kugou521 2009-08-17 2009-09-06 12:12:45 by yizhaog
    [MS] 【求助】如何在MS的3D图中给分子的各个原子标号?    ( 1 2 3 ) (27/1965) 林林7356 2009-07-12 2009-09-06 12:06:26 by yizhaog
    [MS] 【求助】castep计算出错 5 (5/352) xiaoboy185 2009-09-05 2009-09-06 11:00:36 by yizhaog
    [MS] 【求助】求MS4.4 (6/431) zhangxn06 2009-09-03 2009-09-05 20:23:43 by zhangxn06
    [Vasp&Me ] 【求助】请问为什么我用VASP计算碲镉汞带隙比实验值大?    ( 1 2 3 4 5 ) (42/1879) 2008911 2009-08-20 2009-09-05 19:46:53 by wuchenwf
    [MS] 【求助】castep中怎么选确定初始自旋? (1/278) 学员LmQ9Dy 2009-09-03 2009-09-05 17:36:46 by 水月慧心
    【讨论】并行计算与体系的大小 7 (7/439) glai8818 2009-07-25 2009-09-05 17:26:03 by antediluvian
    [MS] 【求助】计算高聚物的界面相互作用 8 (0/181) majing0027 2009-09-05 2009-09-05 16:39:16 by majing0027
    [MS] 【求助】如何用Castep计算纳米管的功函数 5 (2/238) jghe 2009-09-04 2009-09-05 11:27:53 by jghe
    [MS] 【求助】vibration frequency (9/1147) shaopeng6539 2009-08-23 2009-09-05 09:57:38 by liyong.gan
    [MS] 【求助】请问受主电离能怎么算啊? 4 (5/653) chunying 2009-09-01 2009-09-05 09:03:16 by martin6
    [MS] 【求助】LDA+U (1/356) shelay 2009-09-04 2009-09-04 23:02:55 by yzcluster
    [MS] 【求助】求文献 (0/132) wen0302 2009-09-04 2009-09-04 21:58:11 by wen0302
    [Vasp&Me ] 【讨论】VASP计算单个原子的能带和DOS (8/1200) hookah 2009-09-03 2009-09-04 21:51:10 by hookah
    [Wien2k& ] 【求助】杂质吸收,对于光学介电函数性质的影响 (1/218) yufeng1117 2009-09-03 2009-09-04 19:11:19 by zdhlover
    [MS] 【求助】谁比较精通MS,请留个联系方式吧。谢谢! (3/322) 学员LmQ9Dy 2009-09-04 2009-09-04 17:43:48 by wuli8
    [Vasp&Me ] 【求助】vasp计算单个原子能量总能是正值,怎么办?    ( 1 2 ) (13/1908) nxc0907 2009-09-03 2009-09-04 14:12:48 by nxc0907
    [MS] 【求助】打开ms里的文件很慢    ( 1 2 ) (11/556) shaopeng6539 2009-09-03 2009-09-04 14:01:38 by 2008911
    [Vasp&Me ] 【求助】VASP如何设置可以较准确地计算带隙?    ( 1 2 ) 4 (13/2723) ApolloYang 2009-08-29 2009-09-04 13:39:17 by 2008911
    [Vasp&Me ] 【求助】求电荷密度图分析资料 (2/498) wenxuan5788 2009-09-04 2009-09-04 13:15:06 by xirainbow
    【求助】MS计算时的问题 (5/561) bqx1984 2009-09-04 2009-09-04 10:48:31 by zd777
    [其他] 【讨论】主频高,计算的就一定快吗 (9/746) minsong 2009-09-03 2009-09-04 10:41:45 by minsong
    [MS] 【求助】求助MS4.4版本的软件    ( 1 2 ) (12/821) jpzou 2009-08-08 2009-09-04 10:35:36 by chen9110
    [MS] 【求助】怎么固定两排电荷 1 (7/412) wwj_0905 2009-08-14 2009-09-04 10:28:35 by zd777
    [MS] 【求助】minimize总出错 (0/186) shaopeng6539 2009-09-04 2009-09-04 10:24:45 by shaopeng6539
    [MS] 【求助】[求助]在Dmol3计算中TS confirmation时出现的错误! (0/246) linglixia 2009-09-04 2009-09-04 10:22:54 by linglixia
    [Vasp&Me ] 【求助】LDA和GGA的计算设置有什么区别!    ( 1 2 ) (10/1285) zhangdelin0000 2009-06-08 2009-09-04 10:16:34 by 含草
    [MS] 【求助】Dmol3 求助 9 (6/481) sunshine7788 2009-09-03 2009-09-04 10:08:06 by sunshine7788
    [Vasp&Me ] [求助]Brich-Murnaghan状态方程拟合程序    ( 1 2 ) (14/1587) liumiao05 2009-03-27 2009-09-04 08:25:53 by hchfox
    [Vasp&Me ] 【求助】什么是交换关联能,它具体物理内涵是什么?    ( 1 2 ) (11/2813) mazuju028 2009-08-30 2009-09-03 22:52:13 by txkenglish
    [MS] 【求助】运行中出错 (1/151) Hello_cl 2009-09-03 2009-09-03 21:20:24 by topten-gg
    [MS] 【求助】Energy gain per atom (0/150) B.C.Wang 2009-09-03 2009-09-03 20:40:10 by B.C.Wang
    [MS] 【求助】electronic参数设置 (2/371) B.C.Wang 2009-08-28 2009-09-03 20:28:14 by B.C.Wang
    [Vasp&Me ] 【求助】请教vasp模拟退火中INCAR设置问题 (7/2032) wenxuan5788 2009-08-20 2009-09-03 18:52:34 by hchfox
    [Vasp&Me ] 【讨论】关于势函数的选择问题    ( 1 2 ) 6 (10/1516) xiaomagh 2009-08-31 2009-09-03 17:28:18 by wy2008szy
    [Vasp&Me ] 【求助】表面能带计算的K点设置    ( 1 2 ) (16/1219) jugengfans 2009-08-15 2009-09-03 17:00:21 by wy2008szy
    [MS] 【求助】MS建模问题!!!    ( 1 2 ) (13/1810) fly2236 2009-05-12 2009-09-03 16:25:46 by chen9110
    [MS] 【求助】MS 建模问题 (3/395) chen9110 2009-08-30 2009-09-03 16:16:51 by chen9110
    [MS] 【求助】linux下关于MS License administrator 5 (0/176) dzhijie 2009-09-03 2009-09-03 16:06:31 by dzhijie
    [MS] 【求助】在castep中怎么计算mass density 7 (3/402) yinsong810 2009-08-31 2009-09-03 11:47:13 by liusanbing
    [MS] 【求助】MS4.4安装过程出现重大错误 (4/343) chanlien 2009-09-02 2009-09-03 10:53:57 by chanlien
    [Vasp&Me ] 【求助】conventional cell和primitive cell两个名词的区别    ( 1 2 3 ) (22/5314) dazao 2009-09-01 2009-09-03 09:56:31 by xirainbow
    [MS] 【求助】Dmol3电荷密度求教    ( 1 2 ) (12/819) positron 2009-08-16 2009-09-03 09:20:41 by sunshine7788
    [其他] 【求助】帮忙找错误(cpmd) 2 (2/166) 皓儿165 2009-09-02 2009-09-03 08:52:14 by 皓儿165
    [MS] 【求助】如何在MS中构建完全无序态 2 (2/595) marsdoing 2009-09-02 2009-09-03 08:14:22 by freer007
    [Wien2k& ] 【求助】重金求助wien2k结果分析!!!    ( 1 2 ) (17/2063) Wanghui6383 2009-05-07 2009-09-03 00:05:12 by saminy
    [MS] 【求助】CASTEP计算弹性性质    ( 1 2 ) (15/1097) Huanhuan5360 2009-08-28 2009-09-02 23:42:06 by kuner
    [MS] 【求助】再问born有效电荷计算 (0/214) B.C.Wang 2009-09-02 2009-09-02 22:51:41 by B.C.Wang
    [MS] 【求助】急切求助关于费米能级的问题 (2/289) chunying 2009-09-02 2009-09-02 22:26:41 by kuner
    [MS] 【求助】Materials-studio的背景 (3/363) dzhijie 2009-09-01 2009-09-02 20:14:55 by dzhijie
    [Vasp&Me ] 【求助】VASP过渡态搜索 (6/1009) 乐乐9138 2009-09-01 2009-09-02 18:50:43 by wenxuan5788
    [MS] 【求助】周期性分子筛模型中端式羟基如何构造 3 (0/112) 雁过无痕 2009-09-02 2009-09-02 17:41:38 by 雁过无痕
    [其他] 【讨论】有机计算学 (4/244) dellon9960 2009-08-31 2009-09-02 17:04:33 by quantum999
    [Siesta& ] 【求助】atk中子定义/调用一个函数 (2/187) fangyongxinxi 2009-08-20 2009-09-02 16:39:59 by fangyongxinxi
    [MS] 【求助】计算未配对电子数 10 (5/764) chunying 2009-08-31 2009-09-02 16:14:21 by chunying
    [其他] 【求助】求赝势出处 (1/184) 皓儿165 2009-09-02 2009-09-02 11:39:04 by xirainbow
    [MS] 【求助】关于异常信息的咨询! (2/153) fo3mt2 2009-09-01 2009-09-02 10:59:52 by fo3mt2
    [MS] 【原创】DMol3 4.4计算铁镍表面scf不收敛的解决办法 (1/358) clickme 2009-09-02 2009-09-02 10:26:49 by yzcluster
    [MS] 【求助】如何在MS的3D图中给原子标号?ServerAtomIndex怎么找不到? 7 (7/823) 林林7356 2009-08-27 2009-09-02 10:03:42 by topten-gg
    [Vasp&Me ] 【求助】LDOS图怎么画? (9/935) p.k.g 2009-08-31 2009-09-02 08:37:15 by tfh00
    [其他] 祝大家开学愉快 (1/191) kugou521 2009-09-01 2009-09-02 08:22:09 by gavinliu7390
    [MS] ms4.3安装的详细步骤    ( 1 2 3 ) (评阅+2) (21/2382) zhfuchun 2008-10-29 2009-09-02 08:00:58 by zhfuchun
    [MS] 【求助】在几何优化完后是不是要进行自洽计算啊?MS中怎么计算? (2/182) 学员LmQ9Dy 2009-09-01 2009-09-01 22:32:10 by qq1378037
    [MS] 【求助】Dmol3运行求助 (8/611) peterman 2009-08-29 2009-09-01 20:29:30 by shenhai1315
    [MS] 【求助】大家帮我看看我算出来的能带和态密度能说明什么啊?    ( 1 2 ) (11/644) 学员LmQ9Dy 2009-08-31 2009-09-01 20:21:34 by lxjuan
    【讨论】为什么用MS优化时晶格参数不发生变化? (6/942) yxl7016 2009-08-31 2009-09-01 18:51:36 by yxl7016
    [其他] 【讨论】GW (5/578) yzcluster 2009-05-11 2009-09-01 15:13:13 by flyxhzhou
    [MS] 【求助】平面波的截断能如何确定 (7/1520) marsdoing 2009-08-31 2009-09-01 14:47:07 by marsdoing
    [MS] 【求助】MS运算非晶时出现错误 6 (4/407) dzhijie 2009-08-29 2009-09-01 14:13:38 by freer007
    【讨论】怎样设置集群比较方便,请教有安装经验的虫友 (评阅+1) (8/528) gongxd325 2009-07-12 2009-09-01 11:57:47 by wally8962
    [MS] 【求助】MS4.0的集群安装 (3/288) 静峰 2009-08-31 2009-09-01 10:29:25 by wuli8
    [MS] 【求助】求文献! (1/181) wen0302 2009-09-01 2009-09-01 10:23:30 by yinsong810
    [Vasp&Me ] 【求助】做表面能带时的高对称点怎么写? (2/322) nxc0907 2009-08-31 2009-09-01 09:01:09 by nxc0907
    [Vasp&Me ] 【求助】怎样画VASP计算得到的电荷密度图 (9/1131) xinqing98 2009-07-13 2009-09-01 07:30:32 by 2008911
    [MS] 【求助】什么时候应该考虑自旋和超胞计算 (3/392) 学员LmQ9Dy 2009-08-31 2009-09-01 07:27:27 by 2008911
    [MS] 【求助】castep怎么进行收敛测试? (4/735) 学员LmQ9Dy 2009-08-31 2009-08-31 23:26:36 by xirainbow
    [MS] 【求助】能用MS计算炸药冲击起爆问题吗? (7/581) yjmchinaren 2009-08-27 2009-08-31 22:01:47 by yjmchinaren
    [MS] 【求助】Materials-studio4.4运行出现错误 5 (1/256) dzhijie 2009-08-31 2009-08-31 21:37:39 by sheqiuyun
    [MS] 【求助】MS集群计算的问题 (0/129) 静峰 2009-08-31 2009-08-31 21:15:22 by 静峰
    【求助】请问torque有没有方法能让队列使用指定的机器? (4/524) coolrainbow 2009-04-27 2009-08-31 13:56:00 by 123qweasd7962
    [Vasp&Me ] 【讨论】有人画过单胞内电势分布图吗? (3/458) p.k.g 2009-08-31 2009-08-31 12:37:20 by p.k.g
    [MS] 【求助】ms4.4 CASTEP运行失败 (9/757) ak47198665 2009-08-26 2009-08-31 10:03:58 by dzhijie
    [其他] [关贴]【其他】二〇〇九年八月值班版主签到贴    ( 1 2 3 ) (评阅+10) (金币≥65535)(26/127) wuli8 2009-08-01 2009-08-31 01:44:34 by zeoliters
    [其他] 【求助】体系添加电荷的描述问题    ( 1 2 3 ) 5 (25/792) positron 2009-08-26 2009-08-30 23:12:29 by positron
    [其他] 【求助】苯乙醛如何转化为苯甲醛 (0/195) nansewuhen 2009-08-30 2009-08-30 14:57:50 by nansewuhen
    [Vasp&Me ] 【求助】VASP 中 Berry phase method 计算 polarization 时,如何设置DIPOLE (1/503) lxjuan 2009-08-29 2009-08-30 12:33:49 by dhc198611
    [MS] 【求助】MS建模问题 (4/469) yfw7210 2009-08-01 2009-08-30 11:11:30 by chen9110
    [Vasp&Me ] 【求助】Vasp截断能的测试总是不收敛    ( 1 2 ) 5 (12/1288) miracle_tz 2009-08-27 2009-08-30 10:10:50 by tfh00
    [Siesta& ] 【求助】知道MullikenPopulation,怎么算每个原子磁矩 (5/834) zhzailan 2009-08-29 2009-08-30 10:04:02 by y1ding
    [MS] 【求助】MS安装问题 (2/227) peterman 2009-08-29 2009-08-30 08:56:28 by magee138
    [Vasp&Me ] 【求助】掺杂半导体能带的修正 1 (2/234) hadone 2009-08-27 2009-08-29 23:34:56 by hadone
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