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[热点] 售SCI一区T0P文章,我:8O.55.1.O.5.4,科目齐全,可+急 kvewwGtKktqB 2026-11-06 刚刚
[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 ) (31/4872) 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, (2/1168) fulingling 2016-04-18 2016-04-19 17:26:45 by fulingling
[Vasp&Me ] [已完结]PAW potential (2/1192) 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 (2/1144) 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 ) (12/2764) zzh1193 2016-04-14 2016-04-19 15:25:34 by yejinqian
[Vasp&Me ] [已完结]形成焓的计算 (4/3485) 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 (0/435) 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)(17/6348) 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~ (3/923) nano_dft 2016-04-18 2016-04-19 11:23:27 by nano_dft
[Vasp&Me ] why (16/1333) 蛋蛋小童鞋 2016-04-19 2016-04-19 11:02:39 by 蛋蛋小童鞋
[MS] [已完结]求大神告知MS7.0能否安装在win10系统 (6/1756) 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 (0/342) 物理过客 2016-04-19 2016-04-19 10:46:22 by 物理过客
[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 ) (14/5704) 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 ) (10/3562) 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 (2/1790) 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 (0/367) rbysdzyga 2016-04-19 2016-04-19 06:51:25 by rbysdzyga
[MS] [已完结]建模 (2/596) 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 (1/1310) xiewei娜 2016-04-17 2016-04-18 20:26:48 by wuning128
[MS] [已完结]MS计算能带 (6/1458) 沐雨king 2016-04-15 2016-04-18 17:02:13 by 沐雨king
[QE(Pwsc ] 【求助】结构优化出现的错误 (9/2523) mermaid1128 2010-07-14 2016-04-18 15:37:11 by qdc19800214
[Vasp&Me ] [已完结]表面计算 (8/1749) 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 (0/214) 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? (1/457) 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 (5/748) silver162 2016-04-17 2016-04-18 14:15:53 by tsglss
[Vasp&Me ] [已完结]请教PARCHG的问题 (8/2696) jx在路上 2016-04-15 2016-04-18 12:40:40 by zyqh
[MS] MS——DMOL 高手请进:费米能级 功函数 HOMO LUMO (9/6763) 与狼共舞701 2015-01-15 2016-04-18 12:40:11 by 幸福起点
[Vasp&Me ] [已完结]怎么用VASP计算IR和拉曼谱 (1/770) tfz123 2015-09-08 2016-04-18 11:28:26 by W.Z.Zhou
[Vasp&Me ] [已完结]dos (5/736) 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 ) (30/4184) x163_yu 2011-10-10 2016-04-18 07:22:31 by W.Z.Zhou
[MS] [已完结]形成能    ( 1 2 ) (10/2055) 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 ) (12/2579) 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 (0/433) Ireson 2016-04-17 2016-04-17 21:19:46 by Ireson
[热点前沿 ] [已完结]晶体结构 (0/333) mayong1689 2016-04-17 2016-04-17 19:21:40 by mayong1689
[其他] 招贤纳士,第一性原理版渴求版主!    ( 1 2 ) (55/4275) cenwanglai 2016-04-09 2016-04-17 16:06:59 by luzihen
[Vasp&Me ] [已完结]请问MSD具体怎么做从VASP计算出的结果 (3/1721) 张文彪 2016-03-31 2016-04-17 15:39:34 by luzihen
[MS] ms 20 (1/341) 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 (0/249) 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 (4/879) 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。 (6/1920) 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 (2/868) 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 (2/1226) 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 (3/2501) 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 (7/2776) 无缘无怨 2015-05-07 2016-04-16 08:16:13 by 博致远
[其他] 用BoltzTrap. 先运行了例子Al 和Bi2Te3,但是结果差别较大    ( 1 2 ) (18/2581) 孤傲隐者 2015-05-28 2016-04-15 21:00:52 by obaica
[MS] [已完结]新人求助 (2/926) 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 (0/1075) jugengfans 2016-04-15 2016-04-15 18:45:08 by jugengfans
[其他] [已完结]求资料 (0/300) 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 (1/1358) 雾里的天堂 2016-04-15 2016-04-15 15:15:53 by obaica
[Vasp&Me ] vasp,md请教 (3/713) Nick003 2016-04-13 2016-04-15 11:28:35 by liu123338
[Vasp&Me ] [已完结]请教分波态密度 (2/742) wd12309812 2016-04-13 2016-04-15 10:51:14 by WATERpml
[Vasp&Me ] [已完结]计算 (7/827) skplin 2016-04-14 2016-04-15 09:19:38 by skplin
[MS] [已完结]晶体震动分析 (6/1100) lvchaojia 2016-04-13 2016-04-15 09:09:20 by lvchaojia
[Vasp&Me ] [已完结]CO氧化 (4/753) 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 ) (12/3165) 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 (0/344) nico910902 2016-04-14 2016-04-14 20:46:19 by nico910902
[MS] [已完结]得莫利 (0/254) 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 (0/492) eyreqiao 2016-04-14 2016-04-14 16:04:39 by eyreqiao
[MS] 请问这个软件可以模拟金属表面氧化膜的光学属性么?如反射率、折射率之类的 (0/480) summerfox008 2016-04-14 2016-04-14 15:40:43 by summerfox008
[MS] [已完结]文献中(根号3×根号3)R30-1CO structure 的理解 (4/1726) 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 (7/3892) 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 (4/872) yinghao0229 2016-04-13 2016-04-14 12:37:36 by yinghao0229
[Vasp&Me ] [已完结]求CHGdiff.pl脚本 (3/886) 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 (3/595) 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 (2/951) 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 (5/1858) 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? (1/2160) 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? (0/1230) 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 ) (11/1245) 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 (4/801) 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 (0/880) 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? (6/3064) 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 ) (16/2870) rbysdzyga 2016-04-10 2016-04-13 16:44:00 by maoli
[MS] 【求助】掺杂后带隙的问题    ( 1 2 3 ) (28/6309) limin2007 2011-03-27 2016-04-13 14:14:55 by 么么么哒165
[MS] 【求助】MS (15/2878) Andyzd 2011-03-20 2016-04-13 14:08:50 by bujiesan
[QE(Pwsc ] [已完结]求QE教程 (0/1540) 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、 (0/1224) 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!! (3/2256) hugoxia 2015-12-04 2016-04-13 08:15:50 by hugoxia
[MS] 【求助】求助:CASTEP能计算气体和液体的折射率吗 (3/1076) suyi20466975 2010-12-07 2016-04-13 08:12:01 by suyi20466975
[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? (3/1239) 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 ) (12/2229) 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 (4/786) 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 (7/1720) 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 (1/967) xiaoxuan1111 2016-04-04 2016-04-12 21:23:08 by xiaoxuan1111
[MS] AlN的原子坐标 (11/1383) GaronYu 2016-04-12 2016-04-12 16:45:03 by obaica
[Vasp&Me ] [已完结]vasp中计算磁性的相关问题 (9/4322) duba1023 2013-12-30 2016-04-12 16:22:34 by busstop
[Vasp&Me ] [已完结]VASP中关于原子层厚度的测试 (8/1763) 抖抖豆豆 2016-04-11 2016-04-12 15:34:38 by 抖抖豆豆
[Vasp&Me ] [已完结]求大神解析 GULP软件编写者 Julian GALE教授给我的EMAIL哇 (3/1072) nico910902 2016-04-07 2016-04-12 15:31:51 by nico910902
[Vasp&Me ] [已完结]BoltzTrap软件编译好运行出错 (4/831) obaica 2016-04-11 2016-04-12 15:17:32 by obaica
[Vasp&Me ] 【求助】split_dos怎么运行? (金币≥10)(6/162) lan徉yang 2011-03-04 2016-04-12 13:18:31 by joker0832
[其他] [已完结]求LiVO2F的晶体结构 (0/302) ljyang320 2016-04-12 2016-04-12 12:34:48 by ljyang320
[MS] [已完结]能带图有问题? (6/1309) nosilent 2016-04-03 2016-04-12 00:04:32 by 么么么哒165
[热点前沿 ] [已完结]为什么可以用赝波函数计算波函数的导数 (0/350) taishizhiqiu 2016-04-11 2016-04-11 23:38:55 by taishizhiqiu
[MS] [已完结]求助 (1/404) 呆呆停停 2016-04-11 2016-04-11 22:29:39 by 呆呆停停
[MS] [已完结]求助关于能带图横坐标的问题    ( 1 2 ) (11/4116) lc231001 2016-02-13 2016-04-11 17:45:17 by nosilent
[MS] [已完结]关于castep计算压缩形变的问题 (1/558) liuyf1110 2016-03-31 2016-04-11 15:46:52 by liuyf1110
[MS] [已完结]MS建模的问题 (2/659) rbysdzyga 2016-04-11 2016-04-11 15:39:30 by kuyedexiao
[其他] [已完结]phonopy安装的问题 (1/2421) 学员x0PurS 2015-02-13 2016-04-11 15:38:50 by 就laikankan
[MS] [已完结]查看是否成键? (5/1111) kuyedexiao 2016-04-09 2016-04-11 14:39:36 by rbysdzyga
[热点前沿 ] [已完结]如何才能快速入门第一性原理 (9/2256) raul 2016-03-03 2016-04-11 14:05:28 by cenwanglai
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