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[热点] 今年春晚有几个节目很不错,点赞! 瞬息宇宙 2026-02-22 刚刚
[MS] [已完结]Dmol3布局结果分析 (2/713) 阿斯蒂芬a 2016-04-21 2016-04-21 17:30:33 by 阿斯蒂芬a
[MS] [已完结]MS 界面上键强度比较 (0/279) orwellyang 2016-04-21 2016-04-21 11:07:40 by orwellyang
[MS] [已完结]迭代步数interation没有达到预设值就停了,也没有提示失败 (0/1639) 青大柯尔斯滕 2016-04-21 2016-04-21 10:24:02 by 青大柯尔斯滕
[MS] [已完结]各位,差分电荷密度图分析求助!谢谢! (7/2814) 15884588317 2016-04-16 2016-04-21 10:23:39 by 15884588317
[Vasp&Me ] [已完结]在SOC(自旋轨道耦合)计算后,如何看k空间中每个k点上电子的自旋方向? (6/3055) jugengfans 2016-02-04 2016-04-21 03:51:38 by jugengfans
[其他] [已完结]单位是什么意思 (2/702) 学员tIu1OY 2016-04-20 2016-04-20 22:59:19 by qq740950838
[Vasp&Me ] [已完结]某个原子的轨道角动量怎么算? (2/5073) swuhaizhilan 2016-04-19 2016-04-20 17:18:05 by swuhaizhilan
[MS] [已完结]有没有能计算含有电子自旋材料的声子谱的软件? (2/814) Brutallus 2015-11-01 2016-04-20 15:48:42 by levyleo
[MS] [已完结]求助,求助,求助,如何运用materials-studio和ADF计算电荷转移积分 (2/1177) xiaohezi002 2013-04-08 2016-04-20 15:47:16 by levyleo
[MS] [已完结]CASTEP 模块建立界面 (2/547) orwellyang 2016-02-28 2016-04-20 14:15:07 by maxiaole
[MS] [已完结]建模问题 (2/572) 杨贾斯汀思 2016-04-15 2016-04-20 14:11:09 by maxiaole
[Vasp&Me ] [已完结]phonopy虚频,pwscf没虚频    ( 1 2 ) (10/1861) calos818 2016-04-19 2016-04-20 13:24:13 by calos818
[Vasp&Me ] [已完结]净原子布局什么意思 (0/430) liuliu198844 2016-04-20 2016-04-20 13:10:49 by liuliu198844
[热点前沿 ] [已完结]无机化学学报投稿问题 (2/637) liuliu198844 2016-04-19 2016-04-20 12:53:54 by liuliu198844
[MS] [已完结]forcite跑分子动力学,repulsive cutoff 如何设置? (0/828) 青大柯尔斯滕 2016-04-20 2016-04-20 12:27:11 by 青大柯尔斯滕
[MS] [已完结]MS软件中金属项Metal勾不勾选的问题 (2/1372) 科莱文丝麦尔 2016-04-18 2016-04-20 12:23:04 by 科莱文丝麦尔
[MS] [已完结]建模 (7/1231) tangjie1989 2013-04-03 2016-04-20 11:55:52 by maxiaole
[MS] [已完结]稀土掺杂体系带隙问题 (0/572) yyj0510 2016-04-20 2016-04-20 10:44:56 by yyj0510
[Vasp&Me ] [已完结]动态弛豫后的vasprun.xml用P4V显示的结构和CONCAR结构显示不一样 (0/449) mylifecg 2016-04-20 2016-04-20 09:23:09 by mylifecg
[Vasp&Me ] [已完结]VASP各种能量的选择与区别 (9/5028) 1243946679 2015-11-03 2016-04-20 09:20:17 by 1243946679
[Vasp&Me ] [已完结]请问怎么用VASP计算泊松比? (3/1994) lei234 2016-04-19 2016-04-20 00:06:53 by lei234
[热点前沿 ] [已完结]γ-MnO2模型求助 (0/358) 张永超1314 2016-04-19 2016-04-19 23:51:04 by 张永超1314
[热点前沿 ] [已完结]求B4C的带隙 (0/186) duan2012 2016-04-19 2016-04-19 20:21:55 by duan2012
[MS] [已完结]计算的弹性系数与压强的关系在ORINGIN里的图 (0/386) zyf2875 2016-04-19 2016-04-19 19:15:40 by zyf2875
[MS] [已完结]求助,声子谱如何分析? (1/5007) fanhuasijin 2015-08-26 2016-04-19 18:47:11 by 李加伟
[其他] [已完结]一年内,完全靠自己的力量发一篇学术论文可能吗    ( 1 2 3 4 ) (31/4225) 晃荡的秋千 2016-04-12 2016-04-19 18:41:29 by 化学位移
[QE(Pwsc ] [已完结]用pwscf将晶胞进行opt-scf-nscf-bands计算后, (2/1017) fulingling 2016-04-18 2016-04-19 17:26:45 by fulingling
[Vasp&Me ] [已完结]PAW potential (2/1131) liuliu198844 2016-04-18 2016-04-19 16:34:09 by 爱笑的幼稚鬼
[Abinit] [已完结]ABINIT计算过程中OUT文件中提示Symmetries : the unit cell is not primitive (2/1003) kongkkk 2016-04-17 2016-04-19 15:48:53 by kongkkk
[MS] [已完结]求助MS软件问题    ( 1 2 ) (12/2424) zzh1193 2016-04-14 2016-04-19 15:25:34 by yejinqian
[Vasp&Me ] [已完结]形成焓的计算 (4/3327) 大海12345 2014-03-05 2016-04-19 13:53:03 by 大海12345
[Vasp&Me ] [已完结]计算锂晶胞的总能量,怎么设置INCAR文件 (0/395) lww0928 2016-04-19 2016-04-19 13:19:42 by lww0928
[MS] [已完结]MS中smearing width的问题    ( 1 2 ) (1ST强帖+1)(17/5652) cswithme 2013-10-27 2016-04-19 13:03:07 by 卡开发发
[其他] [已完结]先关了控制节点,后关闭计算节点。现在控制节点的磁盘阵列不能共享到计算节点了~ (3/796) nano_dft 2016-04-18 2016-04-19 11:23:27 by nano_dft
[MS] [已完结]求大神告知MS7.0能否安装在win10系统 (6/1590) 小磊的虫虫 2016-04-15 2016-04-19 10:51:55 by 小磊的虫虫
[MS] [已完结]ZnS (0/277) 物理过客 2016-04-19 2016-04-19 10:46:22 by 物理过客
[Vasp&Me ] [已完结]请问vasp可以做吸附气体随温度和压强的变化曲线吗?什么软件可以做如下曲线呢 (0/360) 微6凉 2016-04-19 2016-04-19 10:26:06 by 微6凉
[Vasp&Me ] [已完结]请教大侠 slab模型中关于表面能计算的问题    ( 1 2 ) (14/4742) 13611936804 2011-08-12 2016-04-19 08:39:28 by 新月妃
[Vasp&Me ] [已完结]表面稳定性判断    ( 1 2 ) (10/2984) hai20 2013-12-17 2016-04-19 08:34:01 by 新月妃
[Vasp&Me ] [已完结]HSE06计算的疑问 (2/1670) chenxin1992 2014-03-31 2016-04-19 07:07:01 by 相信未来ok
[MS] [已完结]给LDH上的镁添加氧出现这样的情况 (0/319) rbysdzyga 2016-04-19 2016-04-19 06:51:25 by rbysdzyga
[MS] [已完结]建模 (2/494) slz123 2016-04-18 2016-04-18 21:13:09 by slz123
[Vasp&Me ] [已完结]极性表面加氢钝化和偶极矫正的疑问 (1/1223) xiewei娜 2016-04-17 2016-04-18 20:26:48 by wuning128
[MS] [已完结]MS计算能带 (6/1309) 沐雨king 2016-04-15 2016-04-18 17:02:13 by 沐雨king
[Vasp&Me ] [已完结]表面计算 (8/1267) greatqi 2016-04-01 2016-04-18 15:27:58 by greatqi
[Vasp&Me ] [已完结]磷酸钛锂的cif文件 (0/171) lww0928 2016-04-18 2016-04-18 15:11:29 by lww0928
[MS] [已完结]怎么建晶胞参数匹配的异质节模型? (1/397) 平敦盛Chem 2016-04-18 2016-04-18 14:18:08 by 1023jelly
[其他] [已完结]有关化学压和静水压的区别 (5/653) silver162 2016-04-17 2016-04-18 14:15:53 by tsglss
[Vasp&Me ] [已完结]请教PARCHG的问题 (8/2463) jx在路上 2016-04-15 2016-04-18 12:40:40 by zyqh
[Vasp&Me ] [已完结]怎么用VASP计算IR和拉曼谱 (1/692) tfz123 2015-09-08 2016-04-18 11:28:26 by W.Z.Zhou
[Vasp&Me ] [已完结]dos (5/595) 18232024628 2016-04-16 2016-04-18 09:31:31 by tcheng92
[MS] [已完结]IR 和 Roman 谱的计算    ( 1 2 3 4 ) (30/3515) x163_yu 2011-10-10 2016-04-18 07:22:31 by W.Z.Zhou
[MS] [已完结]形成能    ( 1 2 ) (10/1868) 151637 2014-05-22 2016-04-18 06:17:24 by 黑白迹忆
[Vasp&Me ] [已完结]求助软件vasp window7    ( 1 2 ) (12/2228) 小王飞 2016-04-14 2016-04-18 00:53:27 by 小王飞
[其他] [已完结]关于有机物中charge transport计算的讨论 (0/356) Ireson 2016-04-17 2016-04-17 21:19:46 by Ireson
[热点前沿 ] [已完结]晶体结构 (0/288) mayong1689 2016-04-17 2016-04-17 19:21:40 by mayong1689
[Vasp&Me ] [已完结]请问MSD具体怎么做从VASP计算出的结果 (3/1562) 张文彪 2016-03-31 2016-04-17 15:39:34 by luzihen
[MS] ms 20 (1/274) 蛋蛋小童鞋 2016-04-17 2016-04-17 15:13:00 by 蛋蛋小童鞋
[Vasp&Me ] [已完结]在VASP计算SnSe掺Ti优化时出现了的问题 (0/206) chshansha 2016-04-17 2016-04-17 08:33:51 by chshansha
[Vasp&Me ] [已完结]不同位置掺杂计算的设定 (4/717) scuedu2 2016-03-23 2016-04-17 00:44:02 by yaogoo
[Vasp&Me ] [已完结]求教vasp,如何写incar、kpoint文件。 (6/1747) 天空格外蓝 2016-04-16 2016-04-17 00:41:32 by obaica
[MS] [已完结]MS6.0Dmol3中如何计算vibrational frequency (2/800) 记忆中的红罂 2016-04-14 2016-04-16 22:28:59 by 记忆中的红罂
[Vasp&Me ] [已完结]请问vaspkit这个程序怎么用 (2/1149) jx在路上 2016-04-16 2016-04-16 21:02:51 by jx在路上
[Vasp&Me ] [已完结]p4vasp画出来的DOS图 (3/2374) obaica 2016-03-29 2016-04-16 14:58:43 by 相信未来ok
[MS] [已完结]castep怎么计算晶体中单个原子的能量 (7/2491) 无缘无怨 2015-05-07 2016-04-16 08:16:13 by 博致远
[MS] [已完结]新人求助 (2/835) 嚣张的超超 2016-04-15 2016-04-15 18:50:44 by 嚣张的超超
[Vasp&Me ] [已完结]vasp 自旋密度的疑惑 (0/949) jugengfans 2016-04-15 2016-04-15 18:45:08 by jugengfans
[其他] [已完结]求资料 (0/249) 呆呆停停 2016-04-15 2016-04-15 17:18:49 by 呆呆停停
[MS] [已完结]HOMO LUMO 与价带 导带的关系 是什么 (1/1260) 雾里的天堂 2016-04-15 2016-04-15 15:15:53 by obaica
[Vasp&Me ] [已完结]请教分波态密度 (2/661) wd12309812 2016-04-13 2016-04-15 10:51:14 by WATERpml
[Vasp&Me ] [已完结]计算 (7/697) skplin 2016-04-14 2016-04-15 09:19:38 by skplin
[MS] [已完结]晶体震动分析 (6/902) lvchaojia 2016-04-13 2016-04-15 09:09:20 by lvchaojia
[Vasp&Me ] [已完结]CO氧化 (4/642) fxh0402 2016-04-14 2016-04-15 08:47:25 by fxh0402
[MS] [已完结]castep中GGA和LDA计算态密度的准确度有多高,有什么区别?    ( 1 2 ) (12/2667) 729267452lgl 2016-04-13 2016-04-14 21:42:45 by 卡开发发
[Vasp&Me ] [已完结]求助大侠,用vasp开发S的EAM势 (0/300) nico910902 2016-04-14 2016-04-14 20:46:19 by nico910902
[MS] [已完结]得莫利 (0/198) ltt20144015 2016-04-14 2016-04-14 16:42:12 by ltt20144015
[资源] [已完结]求助C20的分子结构的cif文件 (0/434) eyreqiao 2016-04-14 2016-04-14 16:04:39 by eyreqiao
[MS] [已完结]文献中(根号3×根号3)R30-1CO structure 的理解 (4/1496) zhuzisummer 2011-08-20 2016-04-14 15:12:25 by xiaowandouer
[MS] [已完结]能带图和态密度图的对照 (7/3658) 么么么哒165 2016-04-13 2016-04-14 13:07:06 by bujiesan
[Vasp&Me ] [已完结]分析态间跃迁 (4/760) yinghao0229 2016-04-13 2016-04-14 12:37:36 by yinghao0229
[Vasp&Me ] [已完结]求CHGdiff.pl脚本 (3/759) byf4244 2014-11-26 2016-04-14 12:33:22 by yxlllzj1314
[Vasp&Me ] [已完结]vasp进行优化是报错,请指教 (3/497) ljd1991 2016-04-11 2016-04-14 09:40:22 by 抖抖豆豆
[Vasp&Me ] [已完结]vasp分子动力学的问题请教 (2/866) 123左叉 2016-04-11 2016-04-14 09:36:54 by 抖抖豆豆
[Vasp&Me ] [已完结]vasp优化完分子后分子散了 (5/1654) ljd1991 2016-04-12 2016-04-14 09:32:10 by 抖抖豆豆
[MS] [已完结]如何根据MS结果确定费米能级的真实位置,并且求出氧化还原电势? (1/2051) 雾里的天堂 2016-04-13 2016-04-14 07:53:48 by 半尾残狐
[Vasp&Me ] [已完结]频率计算怎么固定原子? (0/1186) 18号 2016-04-13 2016-04-13 21:40:34 by 18号
[Vasp&Me ] [已完结]算PARCHG出错    ( 1 2 ) (11/1026) jx在路上 2016-04-13 2016-04-13 21:39:38 by jx在路上
[其他] [已完结]请高手帮忙算下分子大小 (4/686) fengzhiwu 2016-04-13 2016-04-13 21:26:49 by lzr_0
[Vasp&Me ] [已完结]用bandplot.x画能带出错 (0/832) jx在路上 2016-04-13 2016-04-13 20:52:17 by jx在路上
[Vasp&Me ] [已完结]计算8x3的石墨烯超胞的能带时KPOINTS文件中的高对称点怎么取? (6/2797) 恒静无言 2016-04-02 2016-04-13 16:55:34 by 么么么哒165
[MS] [已完结]关于TS search的问题    ( 1 2 ) (16/2684) rbysdzyga 2016-04-10 2016-04-13 16:44:00 by maoli
[QE(Pwsc ] [已完结]求QE教程 (0/1484) 华以有为 2016-04-13 2016-04-13 11:50:05 by 华以有为
[Vasp&Me ] [已完结]vasp出现的问题,求解大神、 (0/1176) 小鱼儿v56 2016-04-13 2016-04-13 08:37:43 by 小鱼儿v56
[Vasp&Me ] [已完结]VASP,LDA+U中U值的确定,急急急!! (3/2113) hugoxia 2015-12-04 2016-04-13 08:15:50 by hugoxia
[热点前沿 ] [已完结]从朗道方程是如何计算得到 反铁电回线 和 α-E 关系的? (3/1038) xizisixian 2016-03-26 2016-04-13 08:06:44 by iamikaruk
[Vasp&Me ] [已完结]求教:声子谱数据处理 Traceback (most recent call last):    ( 1 2 ) (12/1933) 人人余yan 2016-04-03 2016-04-13 08:06:11 by xiaoxuan1111
[MS] [已完结]构建相关的晶胞 (4/673) 白不懂黑 2016-04-10 2016-04-13 07:54:47 by 白不懂黑
[MS] [已完结]求助大神指点------硅衬底的石墨烯建模及计算 (7/1437) 爱因斯念yyx 2015-07-27 2016-04-13 06:05:18 by microlight
[Vasp&Me ] [已完结]vasp+phonopy算声子时,由phonopy得到的POSCAR无法计算 (1/847) xiaoxuan1111 2016-04-04 2016-04-12 21:23:08 by xiaoxuan1111
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