24小时热门版块排行榜    

申请当版主 | 存档区 |应助排行|1ST强帖排行 小木虫论坛-学术科研互动平台 » 计算模拟区 » 第一性原理 » 资源 订阅

管理团队 (金币库 94060.3 充值 )

主管区长：
月只蓝小红豆
主管版主：
漫天飘雪蛋蛋小童鞋franch

杰出贡献者

专家顾问：
souledge卡开发发dxcharlaryjpchou
荣誉版主：
spurzdhloverwuchenwfwuli8aylayl08zxzj05nono2009fegg7502youzhizhezzy870720zuuv2010御剑江湖yjcmwgkliliangfangben_ladengcenwanglaifzx2008ljw4010
荣誉成员：
ym23yjmaxpaynexirainbowwatermallice_rainstudy163minmin_0082003yllipro_junjieellsakingmazuju028zjuerstractorgzqdyouxiazhang668WDD880227y1ding
7777/8首页上一页345678下一页
全部 热点前沿问题讨论 MS Vasp&MedeA Wien2k&FLAPW&ELK Abinit Siesta&Smeagol&Atk QE(Pwscf) 资源 其他 版务
回帖排序 发表排序 刷新页面  |  交流  |  求助  |  资源精华区 作者 最后发表
[热点] 常年博士招收(双一流，工科) tammmmm 2026-01-20 刚刚
[资源] Atomic Scale Characterization and First-Principles Studies of SiN Interfaces (27/1603) wenke1526 2011-12-05 2014-10-07 18:07:14 by jinpengfei
[资源] VASP XCrysDenPWscf 单机安装教程(linux) (12/5259) gkf高 2012-04-04 2014-09-29 16:04:10 by onion2440
[资源] libstdc++5编译器，32位的，装vasp用的，好不容易找到的 (1/486) 甲斐之虎 2013-07-29 2014-09-28 08:48:31 by 高朋满座007
[资源] [已完结]lammps (0/622) gaarakingBMY 2014-09-27 2014-09-27 22:17:30 by gaarakingBMY
[资源] [已完结]概念不懂 (0/258) lijiajia142 2014-09-27 2014-09-27 22:05:18 by lijiajia142
[资源] 14年最新SCI影响因子 独家推出    ( 1 2 ) (17/2229) hwceng0816 2014-07-30 2014-09-25 10:26:58 by jingrong978
[资源] [已完结]findit 安装求助 (1/1020) 孙东加油 2014-09-16 2014-09-16 15:12:49 by 孙东加油
[资源] 分享我的PRB，散点小金，“有序度和磁性对弹性常数的影响” (48/2654) ustbwgs 2014-08-17 2014-09-11 07:42:59 by babaleo
[资源] 综述：Challenges for Density Functional Theory    ( 1 2 3 ) (130/4283) dwma 2011-12-24 2014-08-25 15:59:18 by 火神的右耳
[资源] [已完结]合金的表面相图怎么画呀？    ( 1 2 ) (11/2102) bcctlyc 2014-08-13 2014-08-18 09:44:03 by bcctlyc
[资源] [已完结]求一本计算元素之间结合能力大小的书或者论文的名称和作者等 (0/242) quwei1989 2014-07-25 2014-07-25 13:43:04 by quwei1989
[资源] [已完结]siesta和dmol那个更快些 (2/674) xiaoboy185 2014-07-22 2014-07-22 12:35:55 by xiaoboy185
[资源] [已完结]求S单质的POSCAR文件 (3/786) Alice_0309 2014-07-14 2014-07-20 16:18:28 by zuocuiping
[资源] 第一原理计算方法介绍    ( 1 2 3 ) (29/3935) wcbkele 2011-11-21 2014-07-09 08:59:03 by searchbaibai
[资源] [已完结]Al-S，V-Pb原子键长 (0/274) hhp102 2014-07-02 2014-07-02 09:35:12 by hhp102
[资源] [已完结]求电子版计算材料学基础！ (2/1974) huzi2359 2014-06-25 2014-07-01 16:01:09 by 韩东岳_real
[资源] Properties of graphene a theoretical (29/1437) Manluzhang 2012-09-22 2014-07-01 10:56:55 by ljr03
[资源] Electronic Structure ，量子固体物理经典 (0/453) swanboiled 2014-06-29 2014-06-29 17:11:42 by swanboiled
[资源] [已完结]求沈学础《半导体光谱和光学性质》电子书一本 (0/598) heechao 2014-06-25 2014-06-25 14:02:05 by heechao
[资源] [已完结]求VESTA 教程一份 (4/2027) nhzxyll 2014-06-09 2014-06-22 19:23:27 by wuli8
[资源] 第十二届量化会议论文摘要集 (0/450) heechao 2014-06-20 2014-06-20 09:04:19 by heechao
[资源] [已完结]求关于自旋波函数对称性相关的文献！ (2/501) dagewane63 2014-06-13 2014-06-14 10:01:08 by wmy8802217
[资源] [已完结]关于激子的问题！！ (1/587) zmrright 2014-05-08 2014-05-26 15:30:15 by greylight
[资源] [已完结]求 Organic and Organometallic Molecular Magnetic Materials—Designer Magnets (0/235) vasp001 2014-05-17 2014-05-17 23:00:45 by vasp001
[资源] Verification of first-principles codes: ABINIT vs QE (1/561) fzx2008 2014-05-14 2014-05-14 19:14:24 by Twenty4
[资源] [已完结]求助 在哪里下载一些Hf与氧化性的文献 (3/544) 北风醉 2014-05-02 2014-05-03 16:58:44 by mywai520
[资源] [已完结]求13版wien2k,谢谢！ (1/476) hhp102 2014-04-24 2014-04-24 14:23:18 by 大笨熊38
[资源] [已完结]求氢氧化铝（Bayerite）的表面能数据，谢谢 (0/236) 泰山小子123 2014-04-10 2014-04-10 14:47:51 by 泰山小子123
[资源] 求能预测pKa 的软件 (0/651) 416726641 2014-03-28 2014-03-28 14:41:00 by 416726641
[资源] 从原子到大分子体系的计算机模拟 (3/860) hpxiao 2014-03-27 2014-03-27 16:58:24 by 飞天小白
[资源] [已完结]CeO2定压热容（随温度变化的方程） (0/606) Cony女孩 2014-03-25 2014-03-25 21:34:26 by Cony女孩
[资源] 【分享nmat文献一篇】A search model for topological insulators (6/1386) fzx2008 2012-07-09 2014-03-18 07:21:07 by scorpioos
[资源] hurry hurry hurry up (1/506) liu261591984 2014-03-14 2014-03-14 12:23:34 by 卡开发发
[资源] [已完结]关于电沉积层厚度和电极寿命的关系 (0/433) dongabcde 2014-03-12 2014-03-12 19:15:29 by dongabcde
[资源] [已完结]急求JCPDS Card N0.32-1395 数据 (1/470) 月牙泉200888 2014-03-07 2014-03-12 17:02:38 by 月牙泉200888
[资源] 科研工具：VESTA (正式版，最新官方版的哦，增加了一些有趣的功能）    ( 1 2 3 ) (26/4351) znphoon_ok 2013-05-19 2014-03-09 17:50:04 by 淡忘未来
[资源] [已完结]文献求助 (0/236) 1244464635 2014-01-10 2014-01-10 10:09:18 by 1244464635
[资源] counterintuitive NaCl (3/467) ZDBWHZ 2013-12-22 2014-01-10 09:16:38 by hakuna
[资源] [已完结]求助一篇Nature文献 (5/706) upc10131309 2013-12-19 2013-12-21 16:30:04 by upc10131309
[资源] [已完结]求Bi5O7I Bi3O4Cl Bi3O4Br 的cif文件 (0/459) 小叶3061 2013-12-20 2013-12-20 21:43:27 by 小叶3061
[资源] [已完结]求Bi5O7I Bi3O4Cl Bi3O4Br 的cif文件 (0/378) 小叶3061 2013-12-20 2013-12-20 21:42:43 by 小叶3061
[资源] [已完结]求赵纪军老师的计算材料学第一章导论课件 (6/1684) 学员gQrpKs 2013-12-08 2013-12-12 15:52:43 by 1989luyihong
[资源] [已完结]求一篇文献 Reviews of modern physics (2/378) aaronzjw 2013-12-04 2013-12-04 11:57:47 by gclai
[资源] [已完结]推荐美国做纳米材料计算模拟的老外课题组 (0/426) njuxyh 2013-12-01 2013-12-01 22:38:43 by njuxyh
[资源] [已完结]求高斯的资料 (0/442) cczjkd 2013-11-23 2013-11-23 17:39:30 by cczjkd
[资源] [已完结]关于PV calculator (0/345) lulutiantian 2013-11-22 2013-11-22 21:33:36 by lulutiantian
[资源] [已完结]找一篇文献 (3/421) 阳光的影子 2013-11-12 2013-11-21 23:41:13 by TangNa
[资源] [已完结]如何采用沉淀法制备纳米ZnO粉末 (2/398) 学员gQrpKs 2013-11-18 2013-11-19 10:23:14 by 1989luyihong
[资源] [已完结]求下面详细全文 (1/382) jeremyren 2013-11-17 2013-11-17 21:48:20 by lq6865387
[资源] [已完结]求第一性原理综述性文献 (2/713) feiyue_ 2013-11-15 2013-11-15 12:45:20 by lq6865387
[资源] nvidia官方的GPU支持软件列表 (2/592) 明天再看看 2013-11-08 2013-11-13 13:13:38 by 明天再看看
[资源] [已完结]求论文 (4/419) 宛啭 2013-11-10 2013-11-11 21:04:22 by 宛啭
[资源] [已完结]好心人帮我传一份MS解晶体结构的PDF版本的，谢谢！ (2/319) wangpei8982 2013-11-07 2013-11-09 01:18:53 by gkd_0000
[资源] [已完结]求materials studio for win ，软件win.7可用 (2/490) qscao 2013-11-06 2013-11-06 15:59:48 by qscao
[资源] 单壁碳纳米管Chiral Data up to (40,40)供查询 (7/709) fzx2008 2011-10-30 2013-11-06 12:25:25 by 我等我的爱
[资源] [已完结]求几篇文献 (1/312) x7shi 2013-11-01 2013-11-04 08:24:19 by owenlcb
[资源] 氢（含生物制氢） (2/344) xiaoyouzhi 2012-05-23 2013-11-04 06:14:36 by comatus
[资源] 有没有 介绍第一原理的发展近况的资料啊 (0/315) xzy401633 2013-10-28 2013-10-28 16:42:54 by xzy401633
[资源] [已完结]求助一篇文献 (0/279) llyyjjhlz 2013-10-16 2013-10-16 10:44:23 by llyyjjhlz
[资源] [已完结]求助NIST #25731 数据 (1/287) syf0608 2013-10-16 2013-10-16 10:13:42 by 锐利的碎片
[资源] [已完结]求高斯03~谢谢 (2/281) gwlsw890118 2013-04-10 2013-10-15 19:03:39 by daisylian
[资源] [已完结]求3GPa下C碳单质的稳定结构 (1/435) dashuai1133 2013-10-14 2013-10-15 03:06:41 by dxcharlary
[资源] 赝能系 (1/528) wpzl4181005 2013-10-14 2013-10-14 20:20:46 by lxc6680219
[资源] [已完结]求助一篇文章 (0/154) will_123 2013-10-11 2013-10-11 09:41:10 by will_123
[资源] 求vasp_band.exe啊，邮箱406298895@qq.com谢谢各位大神了 (2/535) 炮灰往前冲 2013-10-05 2013-10-05 16:50:55 by 漫天飘雪
[资源] [已完结]谁有An Introduction to the Liquid State 这本书的电子版 (0/204) dingfengbo 2013-09-26 2013-09-26 17:21:19 by dingfengbo
[资源] [已完结]求vasp.x.xx.lib.tar.gz (1/393) szsmliu 2013-09-22 2013-09-22 19:48:06 by guohuazhong
[资源] [已完结]vasp学习的书籍 (1/1569) 宫然雪 2013-09-17 2013-09-17 19:19:11 by 漫天飘雪
[资源] [已完结]heat formation 和formation enthalpy是什么关系？ (1/631) dunchaochao 2013-08-15 2013-08-15 07:50:12 by 飞行鸟
[资源] [关贴]各大数据库介绍及使用技巧 (3/663) infrared123 2013-08-12 2013-08-13 13:44:28 by awmc2008
[资源] A molecular dynamics primer (1/375) infrared123 2013-08-12 2013-08-12 13:57:50 by m2125
[资源] [已完结]求助一种物质的 原子站位 (0/195) jdguoxin 2013-07-31 2013-07-31 15:44:26 by jdguoxin
[资源] [已完结]求Fe-C-Cr三元相图 (1/1597) 步_步 2013-05-28 2013-07-26 13:57:08 by 1347806
[资源] [已完结]求帮忙下一篇science direct上的老文章！！ (2/522) cibmpc 2013-07-23 2013-07-23 10:22:22 by lq6865387
[资源] [已完结]求Na3P7的晶体结构 (0/311) xiaoboy185 2013-07-19 2013-07-19 13:20:02 by xiaoboy185
[资源] [已完结]PRB上第一性原理文献求助 (1/466) 天真可爱521 2013-07-19 2013-07-19 10:37:27 by valenhou001
[资源] [已完结]early and late 过渡态 (6/797) maoshanjun 2013-07-10 2013-07-14 22:45:38 by maoshanjun
[资源] [已完结][关贴]求几篇文献 (0/182) zhlhhc 2013-07-13 2013-07-13 20:54:53 by zhlhhc
[资源] [已完结]Rietica结构精修步骤 (1/979) puzhenggan 2013-04-08 2013-07-13 06:31:03 by puzhenggan
[资源] [已完结]求篇论文 (评阅-1) (2/247) tablesos 2013-07-10 2013-07-10 13:39:04 by tablesos
[资源] 013最新IF-(8411种完整版) (评阅+2) (2/318) ljh-000 2013-07-04 2013-07-06 21:49:03 by alicewal
[资源] [已完结]3dmax 8.0 (0/321) 于jianbing 2013-07-01 2013-07-01 20:04:24 by 于jianbing
[资源] [已完结]求助在优化Al的fcc结构时，优化结果不对劲儿，请各位看看咋回事` (2/399) qzz502 2013-05-21 2013-06-20 10:34:27 by qzz502
[资源] [已完结]求一金属介电函数计算软件 (0/290) muyichun 2013-06-18 2013-06-18 13:30:56 by muyichun
[资源] 精华I:  【分享】分子模拟的理论与实践_陈正隆等_2007版_化学工业出版社    ( 1 2 ) (52/6025) juejun_001 2011-03-29 2013-06-04 12:32:49 by bpingping
[资源] [已完结]求KP15的晶体结构 (0/274) xiaoboy185 2013-05-28 2013-05-28 18:36:16 by xiaoboy185
[资源] [已完结]求文献 (1/214) 星愿123 2013-05-28 2013-05-28 09:59:38 by 星愿123
[资源] 几个学习第一性原理动力学的重要网址 (3/2557) k_now 2013-03-27 2013-05-28 07:47:27 by japical
[资源] Density+functional+theory-a+practical+introduction (8/2212) wanghouyuan 2012-05-30 2013-05-11 16:38:43 by 1013725367
[资源] [已完结]【求助】VASP计算bcc铁的能带，不知和哪篇文献核对能带图 (4/853) hohoo居 2013-04-17 2013-04-25 12:23:28 by kervinzhao
[资源] [已完结]求文献 (1/400) yangbs2009 2013-04-18 2013-04-18 18:46:34 by ivansdk
[资源] [已完结]C3N4的cif文件 (0/1531) C40814052 2013-04-16 2013-04-16 14:44:18 by C40814052
[资源] [已完结]急求Intel fortran 10.1 EM64安装程序，for win X64！ (0/234) allielaw 2013-04-14 2013-04-14 10:01:12 by allielaw
[资源] [已完结]文献求助 (0/247) fjfuzhou 2013-04-11 2013-04-11 18:35:28 by fjfuzhou
[资源] [已完结]求助 (3/385) jiaopeng8253 2013-04-11 2013-04-11 10:22:03 by langxueyin
[资源] [已完结]求文献关于：实验上和理论上石墨烯掺杂单原子的文献，尤其是实验方面 (2/436) 沁清漪 2012-11-07 2013-04-04 14:39:06 by lzyuly
[资源] Relativistic Dirac Electrons in Solids ‐ Graphene Physics (27/1116) cavediger 2012-06-15 2013-04-03 09:51:35 by clark_albert
7777/8首页上一页345678下一页
相关版块跳转
查看