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北京石油化工学院2026年研究生招生接收调剂公告

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[热点] 081200-11408-276学硕求调剂 崔wj 2026-03-28 刚刚
[Vasp&Me ] [已完结]关于VASP结构优化 (5/1166) 对马拉二胡 2014-05-03 2014-05-03 11:54:39 by mywai520
[Vasp&Me ] [已完结]VASP计算band遇到问题了求助 (1/514) Alice_0309 2014-05-03 2014-05-03 09:38:49 by mywai520
[Vasp&Me ] [已完结]计算点缺陷参数设置问题 (7/1319) llg1987 2012-07-31 2014-05-03 08:01:33 by shaolin1120
[MS] 为什么 每次算性质结束时 出现communicatetion failure (1/557) 一刀胡 2014-05-02 2014-05-02 22:44:35 by mywai520
[MS] [已完结]CASTEP计算总出错,求助 (7/1093) DANNY.SUE 2014-04-29 2014-05-02 22:05:27 by mywai520
[Vasp&Me ] [已完结]请教:这样的电荷密度图是如何做出来的,原图是石墨烯吸附原子的图 (3/1259) 甲斐之虎 2014-05-01 2014-05-02 21:53:43 by mywai520
[MS] [已完结]审稿意见如何理解? (3/517) kuner 2014-05-01 2014-05-02 20:56:33 by kuner
[Vasp&Me ] [已完结]phonopy 改变disp位移值 出错! (2/911) tinkie0411 2014-04-04 2014-05-02 19:59:50 by tinkie0411
[QE(Pwsc ] [已完结]计算费米面时如何选择最优的网格(怎样设置MP网格的参数,使网格最优) (2/339) Ireson 2014-05-02 2014-05-02 19:31:35 by Ireson
[Vasp&Me ] [已完结]并行vasp安装后运行出错 (7/1754) dk1013 2012-11-30 2014-05-02 19:30:24 by wmy8802217
[其他] [已完结]求gibbs程序 (4/997) janebohr 2011-12-26 2014-05-02 18:18:27 by kuner
[Vasp&Me ] [已完结][关贴]用dos_procar处理dos数据不准 (3/1619) dx0620 2014-05-02 2014-05-02 16:50:24 by mywai520
[其他] 点缺陷 (12/831) shaolin1120 2014-04-30 2014-05-02 15:33:23 by 517250906
[其他] 【求助成功】哪些体系/模型适合考察能带结构和态密度? (3/882) cenwanglai 2010-08-06 2014-05-02 13:34:00 by sungjen
[MS] 有关掺杂稀土元素的MS计算问题 (3/1748) lx123ppp 2014-04-30 2014-05-02 13:24:10 by 卡开发发
[MS] [已完结]请帮忙看看掺杂后的带隙 (5/909) qlsy 2014-05-01 2014-05-02 11:21:21 by mywai520
[Vasp&Me ] 稀土掺杂自旋极化的DOS图向上自旋和向下自旋的图为什么不对称 (1/1770) lina_1016 2014-05-02 2014-05-02 10:17:12 by lina_1016
[Abinit] [已完结]经验赝势 氮化镓能带模拟 赝势因子怎么看 (8/1439) 黄大仙在西安 2014-04-29 2014-05-02 10:11:44 by 黄大仙在西安
[Vasp&Me ] [已完结]使用VASP计算纳米带能带结构方面的问题 (4/1737) a673121110 2014-05-01 2014-05-02 10:09:36 by a673121110
[Vasp&Me ] 摘抄自百度文库的一篇关于计算partial charge的文章,很详细,值得初学者学习。 (0/5219) 洁如玉 2014-05-02 2014-05-02 09:41:10 by 洁如玉
[Vasp&Me ] [已完结]单胞与超胞在DOS计算中费米能级位置的差别 (3/1306) WATERpml 2014-05-01 2014-05-02 08:26:50 by mywai520
[MS] [已完结]如何构建imogolite晶体 (1/393) 小虫_sang 2014-04-09 2014-05-01 20:57:46 by 测井_14
[MS] {112}<111>Cu|| {112}<110>Nb谁见过这种表达,什么意思?    ( 1 2 ) (14/2135) lx123ppp 2014-04-28 2014-05-01 19:19:28 by qshuang21
[MS] [已完结]态密度图中超过0的部分,属于价带还是导带啊,谢谢 (9/5010) jingjing1023 2014-04-27 2014-05-01 16:25:39 by 甲斐之虎
[Vasp&Me ] [已完结]vasp中设置了PREC = ACCURATE还有必要设置ADDGRID = True吗 (1/5776) wangjiang12 2014-05-01 2014-05-01 16:17:00 by mywai520
[Vasp&Me ] [已完结]VASP计算停止条件设置 (3/1036) jiangge122 2014-05-01 2014-05-01 14:48:33 by mywai520
[Wien2k& ] [已完结]Wien2k或FLAPW多少钱啊? (8/3183) Gina88 2012-03-05 2014-05-01 13:15:12 by chuanghua304
[Vasp&Me ] fropho计算的比热,S的数值怎么不对啊 (2/398) 马江将 2014-05-01 2014-05-01 10:42:33 by 马江将
[Vasp&Me ] [已完结]怎么得到分子轨道的PDOS (2/1157) pangrui1985 2014-04-30 2014-05-01 09:31:45 by pangrui1985
[其他] [已完结]声子计算中的热学问题 (1/385) wanglei200 2011-06-12 2014-05-01 06:57:24 by 马江将
[Vasp&Me ] [已完结]vasp收敛性测试一般是做结构优化还是静态计算啊 (1/1884) jiangge122 2014-05-01 2014-05-01 00:16:17 by mywai520
[Vasp&Me ] [已完结]关于“total drift”的问题 (2/1518) xiewenze 2014-04-30 2014-04-30 22:33:48 by xiewenze
[Vasp&Me ] [已完结]石墨烯纳米带参杂优化问题。 (5/1492) fyzhuhui 2014-04-30 2014-04-30 22:15:01 by mywai520
[Vasp&Me ] [已完结]Vasp计算如何计算电荷密度差(charge density difference) (1/3058) wangjiang12 2014-04-30 2014-04-30 20:32:39 by mywai520
[MS] [已完结]想请教一下Castep软件怎么计算晶体XRD的    ( 1 2 ) (13/2995) apple183 2012-05-02 2014-04-30 19:15:42 by iamikaruk
[MS] 关于做二次差分电荷密度图 (4/1704) lilanvlinwei 2011-09-26 2014-04-30 17:56:05 by lx123ppp
[QE(Pwsc ] [已完结]自己设了一个.pw.in文件,但是运行的时候出现eletrons的错误 求指教 (3/1768) ldxdwn 2014-04-30 2014-04-30 16:26:12 by ldxdwn
[MS] 界面问题,为什么选(100)(111)(110)等这种面,就不能选(245)这种吗?    ( 1 2 ) (14/2079) lx123ppp 2014-04-28 2014-04-30 15:39:39 by wyding
[Vasp&Me ] vasp5.2可以用linear response theory方法计算声子谱,声子态密度吗??    ( 1 2 ) (15/3627) happy小海 2014-04-25 2014-04-30 14:59:25 by happy小海
[MS] [已完结]如何设置gateway问题求助 (1/557) 一二三吗 2014-04-30 2014-04-30 13:56:36 by mywai520
[MS] [已完结]MS计算用电脑 (1/701) 283208234 2014-04-30 2014-04-30 13:48:47 by mywai520
[Abinit] [已完结]abinit如何设置镧系金属Semi-Core electron,包括TM赝势生成? (0/437) hw45888792 2014-04-30 2014-04-30 11:51:26 by hw45888792
[Vasp&Me ] [已完结]采用PBS脚本第一次提交任务,算了1步就被杀死,有错误提示但不知道原因?    ( 1 2 ) (19/3012) VASP_2012 2012-04-22 2014-04-30 10:53:32 by zhjh888888
[Vasp&Me ] [已完结]运行中的故障 (2/546) csuliutao 2014-04-30 2014-04-30 09:19:56 by csuliutao
[Vasp&Me ] [已完结]Vasp计算charge densities (3/922) wangjiang12 2014-04-29 2014-04-30 08:57:31 by 李天帮
[热点前沿 ] [已完结]飞秒脉冲激光能形成元偏振光么    ( 1 2 ) (11/3386) 上大-太赫兹 2011-11-24 2014-04-30 07:23:58 by 黎彗赤
[MS] 【求助成功】MS安装gateway问题    ( 1 2 ) (11/3001) suny2005 2009-06-02 2014-04-30 07:02:06 by 一二三吗
[QE(Pwsc ] 虚晶近似方法得到的赝势怎么用?如何修改相应的in文件中的原子位置和原子种类? (5/1787) fyuewen 2012-08-24 2014-04-30 06:26:55 by fyuewen
[Vasp&Me ] 这篇评论文章值得初学者学习一下以免以后犯类似的问题    ( 1 2 ) (评阅+5) (18/6202) valenhou001 2014-03-28 2014-04-30 00:36:31 by dxcharlary
[其他] [已完结]低能电子与生物分子的损伤模拟 (1/236) 随风而逝2008 2014-04-29 2014-04-29 22:38:46 by mywai520
[MS] [已完结]关于周期性纳米管结构优化的问题 (1/444) 小虫_sang 2014-04-29 2014-04-29 22:28:01 by mywai520
[MS] [已完结]MS6 中build菜单中crystal没有激活,怎么回事? (7/1225) lywbanner 2014-04-29 2014-04-29 22:07:59 by mywai520
[Vasp&Me ] [已完结]求助:优化了快一个月,还是没有结果 (7/1015) 对马拉二胡 2014-04-29 2014-04-29 14:49:15 by 490105179
[Vasp&Me ] [已完结]EDIFF EDIFFG之间设置关系    ( 1 2 ) (12/5648) niuxiaoqi721 2012-09-20 2014-04-29 13:12:49 by sungjen
[MS] [已完结]薄膜实验与理论计算 (7/1113) shixiuyang 2014-04-28 2014-04-29 11:35:31 by mywai520
[其他] [已完结]gaussian09 用TD-DFT方法 可以算周期体系的吸收光谱吗 (5/1981) zhaolz 2014-04-28 2014-04-29 11:34:59 by 卡开发发
[MS] [已完结]纳米管优化时真空层的问题 (6/1595) 小虫_sang 2014-04-28 2014-04-29 10:24:04 by 小虫_sang
[Vasp&Me ] [已完结]关于价电子密度等值面图(isosurfaces of the total valence electron density) (4/2769) 对马拉二胡 2014-04-27 2014-04-29 09:29:18 by 对马拉二胡
[其他] [已完结]问一下在SRIM中的三个参数是怎样区分的,看了帮助但是还是不太明白具体区别在哪里。 (0/770) lvan_DJ 2014-04-29 2014-04-29 09:23:40 by lvan_DJ
[QE(Pwsc ] [已完结]如何通过QE的输入文件大致判定其所需的运行时间? (1/417) xueshichuan 2014-04-18 2014-04-29 08:47:48 by gemucai
[Vasp&Me ] [已完结]关于金刚石结构最稳定的表面 (6/1689) sungjen 2014-04-28 2014-04-29 08:29:28 by sungjen
[MS] [已完结]用Dmol3 LST/QST 计算过渡态的高手进来! (7/3005) 小小鑫000 2014-04-26 2014-04-28 23:22:28 by mywai520
[MS] [已完结]利用MS建立特定密度下CO2体系模型的方法 (6/1212) 横刀 2014-04-28 2014-04-28 23:02:40 by 横刀
[Vasp&Me ] [已完结]师兄师姐们,老师教授么,帮帮我啊。 (2/389) ICEER 2014-04-28 2014-04-28 20:15:40 by ICEER
[MS] 【求助】CASTEP & 碳纳米管计算的模型问题    ( 1 2 ) (15/2773) zhanglx8632 2010-11-07 2014-04-28 17:47:22 by 小虫_sang
[MS] [已完结]Dmol3优化结构时能量出现周期性变化,不是一直降低怎么回事 (5/1386) 小虫_sang 2014-04-28 2014-04-28 17:05:27 by mywai520
[MS] [已完结]MS某天开始变得狂占内存,计算速度变慢,原来不是这样的啊    ( 1 2 ) (13/1845) starrywang 2014-04-24 2014-04-28 16:48:58 by starrywang
[Vasp&Me ] [已完结]VASP计算数据画电荷密度图    ( 1 2 ) (12/5088) 零下1℃ 2014-04-11 2014-04-28 15:48:43 by 零下1℃
[Vasp&Me ] [已完结]请教各位大侠DOS问题    ( 1 2 ) (13/1083) lzlgcdc 2013-02-28 2014-04-28 15:26:38 by 707462558
[MS] [已完结]最近在学习分子动力学模拟,不知道castep跑分子动力学效果如何呢?    ( 1 2 ) (12/3794) purplesdd 2014-04-26 2014-04-28 15:13:13 by purplesdd
[MS] [已完结]cleave suface求助。 (7/1033) fyzhuhui 2014-04-27 2014-04-28 14:12:22 by fyzhuhui
[MS] [已完结]CASTEP建模问题(与Findit显示模型不匹配) (2/673) Tonisam 2014-04-27 2014-04-28 10:24:08 by 益达木糖醇
[热点前沿 ] [已完结]晶体属于空间群174 P-6的化合物有哪些? (5/666) 迎风破浪 2014-04-27 2014-04-28 09:58:34 by 迎风破浪
[MS] [已完结]请问出现如下提示需要做怎样的修改,怎么修改,谢谢 (3/732) Cherike 2014-04-18 2014-04-28 09:44:23 by manoozoro
[Siesta& ] 【求助】求助mulliken布局文章【完结】    ( 1 2 ) (16/2522) zhangguangping 2010-04-19 2014-04-28 06:24:22 by paopaotu326
[MS] 看了篇文献,看不懂啊 (0/158) lx123ppp 2014-04-27 2014-04-27 21:27:18 by lx123ppp
[MS] [已完结]Dmol3 做分子动力学模拟报错 (1/1597) vasp001 2014-04-27 2014-04-27 20:58:28 by mywai520
[MS] [已完结]Dmol3 做分子动力学模拟报错 (1/1426) vasp001 2014-04-27 2014-04-27 17:03:42 by 焦卫红
[Vasp&Me ] [已完结]计算phonopy 提示没安装python-lxml    ( 1 2 ) (14/1628) 小木虫于 2014-04-20 2014-04-27 16:58:08 by 小木虫于
[MS] [已完结]掺杂Ni的ZnO (3/521) 小二丫 2014-04-27 2014-04-27 15:48:48 by 小二丫
[热点前沿 ] [已完结]我是选择VASP还是Dmol3软件? (2/2200) dongabcde 2014-04-27 2014-04-27 15:21:01 by 卡开发发
[Abinit] [已完结]关于ABINIT计算四方结构弹性常数不收敛的问题 (5/1886) yy08 2011-07-21 2014-04-27 05:59:12 by gswylq
[MS] [已完结]收敛性测试能否用小体系表示大体系? (1/397) 浔荆 2014-04-26 2014-04-26 23:44:01 by mywai520
[QE(Pwsc ] Pwscf的set_dft_value (1)?? (0/324) daofengwalan 2014-04-26 2014-04-26 22:24:58 by daofengwalan
[Abinit] [已完结]50个金币求K的LDA Troullier-Martins Abinit的赝势 (0/895) gswylq 2014-04-26 2014-04-26 20:55:17 by gswylq
[Vasp&Me ] 请各位看看内存用量正不正常 (2/528) yangyuqi 2014-04-23 2014-04-26 17:36:10 by hakuna
[Vasp&Me ] VASP利用分子动力学优化基态结构 (1/1030) damao4361556 2014-04-26 2014-04-26 17:30:13 by hakuna
[MS] [已完结]怎么利用Materials Studio判断晶胞属于哪个晶系??? (2/1409) 827260864 2014-04-25 2014-04-26 16:48:14 by 益达木糖醇
[Vasp&Me ] [已完结]超胞,k点2x2x2,算dos的时候ISMEAR怎么选择? (6/2139) busstop 2014-04-23 2014-04-26 11:03:24 by jiewei
[Vasp&Me ] [已完结]vasp表面和吸附分子的结构分别优化后,如何将它们放到一起    ( 1 2 ) (11/4264) dingniu2 2013-06-11 2014-04-26 06:29:04 by 零下1℃
[其他] [已完结]gaussian 09 计算NBO出错 (1/829) yex102350419 2014-04-24 2014-04-25 23:11:50 by mywai520
[MS] [已完结]使用dmol计算表面,加入分子后,下层的底层原子消失 (1/547) frankdove 2014-04-25 2014-04-25 21:48:05 by mywai520
[MS] [已完结]成键态和反键态 (1/4208) dreamdlh 2014-04-25 2014-04-25 21:44:30 by mywai520
[Vasp&Me ] [已完结]VESTA电荷密度分布图 (2/2173) 问天麦饼 2014-04-24 2014-04-25 21:12:31 by 问天麦饼
[Vasp&Me ] [已完结]VASP静态自洽 一步就结束了 急求帮助~!    ( 1 2 ) (12/3213) honeyiclover 2011-11-03 2014-04-25 21:08:27 by mywai520
[Vasp&Me ] vasp做分子动力学 (7/1644) anewtry 2014-04-25 2014-04-25 20:49:48 by sjmr1221
[Vasp&Me ] [已完结]VASP计算TiO2能带竟然没有带隙 (3/1680) bshliu 2013-10-31 2014-04-25 19:18:28 by mywai520
[Vasp&Me ] [已完结]专业概念及计算方法求助 (5/736) chiweijie 2014-04-24 2014-04-25 18:31:35 by mywai520
[Vasp&Me ] [已完结]VASP算加U自洽时计算遇到问题 (5/906) Alice_0309 2014-04-25 2014-04-25 18:11:28 by Alice_0309
[热点前沿 ] STM中的表面等离激元模式与什么因素有关 (0/229) zhangyujin 2014-04-25 2014-04-25 17:58:07 by zhangyujin
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