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[热点] 招博士 王仕尧 2026-01-28 刚刚
[热点前沿 ] [已完结][b][u]对于半导体材料,如何精确确定导带底附近电子状态密度?[/u][/b] (3/1435) xm427 2012-10-13 2012-10-28 00:54:51 by xm427
[其他] [已完结]atk (0/218) 风飘儿 2012-10-27 2012-10-27 20:30:54 by 风飘儿
[Siesta& ] [已完结][关贴]求助atk-2008.02的linux安装文件 (0/297) 落花飞雪 2012-10-27 2012-10-27 20:30:13 by 落花飞雪
[MS] [已完结]KDP晶体建模问题 (0/557) nmgdc2383 2012-10-27 2012-10-27 16:33:52 by nmgdc2383
[热点前沿 ] [已完结]电荷差分密度图的截面图怎么做出来 (7/1650) 285058420 2012-10-24 2012-10-27 15:57:27 by awmc2008
[Vasp&Me ] [已完结]【VASP】 奇怪结果求助 (7/1098) colinchen2 2012-10-27 2012-10-27 15:39:22 by colinchen2
[Vasp&Me ] [已完结]相结合vasp做一点热力学计算,推荐一下软件。 (0/821) hs0218 2012-10-27 2012-10-27 14:26:28 by hs0218
[Vasp&Me ] [已完结]关于VASP 优化晶体结构的问题 (3/1135) bill686433 2012-10-27 2012-10-27 12:41:31 by colinchen2
[Vasp&Me ] [已完结]请教一个概念问题,静电势,有效势,化学势以及费米能级的关系 (2/2188) xiaoboy185 2012-10-23 2012-10-27 12:09:01 by stractor
[MS] [已完结]MS热力学数据曲线可信吗    ( 1 2 3 ) (24/1925) zhuzhudgyg 2012-04-02 2012-10-27 10:12:00 by zhuzhudgyg
[MS] [已完结]Voigt–Reuss– Hill’s approximations计算出来的体积模量,剪切模量在哪里看? (3/3560) fanqy1991 2012-10-22 2012-10-27 09:53:23 by si_lian
[Siesta& ] [已完结]atk计算能带结构设置 (0/569) 木愚 2012-10-27 2012-10-27 08:42:13 by 木愚
[MS] [已完结][关贴]求助-审稿意见(第一性原理关于稳定性和热学性质计算方面) (1/451) meimeidyh 2012-10-26 2012-10-27 08:29:12 by Lathander
[MS] [已完结]如何从态密度图中得到禁带宽度 (9/1767) billly6 2012-07-19 2012-10-27 06:27:44 by aray1577
[MS] [已完结]紧急救助 (0/223) 千里千寻373 2012-10-26 2012-10-26 23:05:40 by 千里千寻373
[Vasp&Me ] [已完结]弹性常数的困惑 (7/801) 赵--- 2012-10-23 2012-10-26 21:25:17 by zyren123
[MS] [已完结]大家看看我用CASTEP计算的吸光度对不对a (7/1030) wuguohao111 2012-10-25 2012-10-26 21:17:30 by 绿世奇球
[Vasp&Me ] [已完结]fropho 中的命令mode2anime.rb应该怎么使用 (2/193) fanarsenal 2012-09-10 2012-10-26 17:48:12 by fanarsenal
[MS] [已完结]请教一下不知道MS中是否可以对非晶体系优化结构并计算单点能? (5/890) zx2456 2012-10-26 2012-10-26 16:28:39 by beyondstar
[资源] [已完结]求硫单质的 POSCAR (1/482) yq2240711 2012-10-26 2012-10-26 16:11:01 by 熊熊猪
[Vasp&Me ] [已完结]怎么用denshkl这个软件截取平面啊? (2/272) chenxin1992 2012-10-25 2012-10-26 15:44:04 by chenxin1992
[MS] [已完结]求教怎么建超晶胞模型 (3/1988) koolord 2012-10-26 2012-10-26 15:22:04 by digghost
[MS] [已完结]dmol3中计算频率 (0/903) 729267452lgl 2012-10-26 2012-10-26 15:05:17 by 729267452lgl
[MS] [已完结]电子占据情况 (5/656) 贝芷苡 2012-10-25 2012-10-26 14:44:13 by 贝芷苡
[其他] [已完结]gview.exe不能运行啊 (0/330) chfwang 2012-10-26 2012-10-26 13:26:31 by chfwang
[MS] [已完结]有关MS5.5在linux上安装计算的问题 (6/965) dx0620 2012-10-10 2012-10-26 13:03:50 by 不在寂寞
[QE(Pwsc ] [已完结]安装espresso5.0时的错误???    ( 1 2 ) (11/1206) hanyanli0475 2012-06-11 2012-10-26 11:35:20 by hanyanli0475
[热点前沿 ] [已完结]键布局数为负 (2/1032) janet2012222 2012-10-07 2012-10-26 09:39:31 by anlen0615
[MS] [已完结]两种物质间的相互作用强度与温度有什么关系? (1/541) nnwang 2012-10-25 2012-10-26 09:36:30 by zx2456
[MS] [已完结]优化失败,请教原因 (2/411) janet2012222 2012-07-20 2012-10-26 09:05:23 by digghost
[MS] [已完结]请教CASTEP出错原因:Trapped SIGINT or SIGTERM. Exiting... (0/3507) eyreqiao 2012-10-26 2012-10-26 08:54:42 by eyreqiao
[Vasp&Me ] [已完结]用phonopy计算声子谱的问题    ( 1 2 ) (16/3710) hhshimin 2011-06-21 2012-10-26 08:14:16 by liancsh
[MS] [已完结]求助,就一个问题:MS正确的几何优化结果晶体角度是不是一定是整数 (1/574) apollosun9283 2012-10-25 2012-10-25 18:14:24 by anlen0615
[Wien2k& ] [已完结]用w2k计算的rhoplot画的2D实空间电子密度图,太粗糙了,怎么把线画的更光滑? (2/660) sunflower_12 2012-10-24 2012-10-25 16:33:10 by sunflower_12
[Vasp&Me ] [已完结]水分子在铜表面的吸附,跟文献结果不一致    ( 1 2 ) (10/2058) gleerat 2012-10-17 2012-10-25 16:09:15 by gleerat
[其他] [已完结]一篇有关第一性原理论文中的计算 (3/489) akshi 2012-10-25 2012-10-25 13:28:59 by akshi
[热点前沿 ] [已完结]第一性原理是什么? (2/636) hanmoyuan 2012-10-25 2012-10-25 12:00:58 by stractor
[MS] [已完结]用Materials Studio 5能否从晶体中切出一个薄片? (6/888) 夏天的宁静 2012-10-22 2012-10-25 11:46:42 by 夏天的宁静
[其他] [已完结]电子化合物的弹性模量 (0/272) anakin_07 2012-10-25 2012-10-25 10:44:02 by anakin_07
[MS] [已完结]怎么用ms建一个几百个原子的合金模型 (0/874) koolord 2012-10-25 2012-10-25 10:18:25 by koolord
[Vasp&Me ] [已完结]优化甲烷的输入文件不知道对不对? (0/282) kobe6777 2012-10-25 2012-10-25 10:11:41 by kobe6777
[MS] [已完结]出错了 急啊 各位帮帮忙啊 (0/676) alyssadong 2012-10-25 2012-10-25 09:37:30 by alyssadong
[Siesta& ] [已完结]求atk的石墨烯脚本 (4/536) kuailewxw 2012-10-23 2012-10-25 09:18:43 by kuailewxw
[MS] [已完结]求助关于陶瓷第一性原理计算的文章,中英文都行 (1/276) scorptionlin 2012-10-18 2012-10-25 08:57:32 by scorptionlin
[其他] [已完结]怎么从iscd中把cif 文件导出来?我一点击导出就不行 (4/1028) 一片儿陶客 2012-10-24 2012-10-25 08:28:24 by 一片儿陶客
[Vasp&Me ] [已完结]锂离子电池电极材料 电极两相共存时候的插锂电压计算 (2/673) xiaoboy185 2012-10-24 2012-10-25 07:51:55 by Lathander
[MS] [已完结][关贴]想要一个老版本的materials studio ,谁有的共享一下,谢谢 (0/348) Janus2024 2012-10-24 2012-10-24 23:17:19 by 无所谓109
[MS] [已完结]部分态密度和投影密度的区别 (1/5863) 贝芷苡 2012-10-24 2012-10-24 22:11:00 by stractor
[MS] [已完结]castep计算能量时的选项问题 (0/310) P201102016 2012-10-24 2012-10-24 19:50:49 by P201102016
[资源] [已完结]MS6.0怎么安装啊 (9/1575) 小牛牛 2012-08-29 2012-10-24 18:31:06 by ouyang1001
[热点前沿 ] [已完结]关于含能材料和溶剂化物的共晶 (0/734) mawenfeng415 2012-10-24 2012-10-24 16:41:18 by mawenfeng415
[Siesta& ] [已完结]实在不知道siesta如何开始运行,折腾了好几天 能尝试的都试了。 (6/1245) 杨寻 2012-10-22 2012-10-24 14:57:18 by yangxuezhang
[QE(Pwsc ] [已完结]请教如何从PDOS得到DOS? (4/1462) cj4566 2012-10-24 2012-10-24 13:26:22 by cj4566
[MS] [已完结]焦绿石相A2B2O7的晶包怎么建立啊?特别是里面的氧原子的位置不同,还有空位 (2/810) 一片儿陶客 2012-10-17 2012-10-24 12:07:12 by Lathander
[MS] [已完结]MS建模问题 (9/1628) mengfc 2011-11-10 2012-10-24 12:07:07 by qq364085265
[其他] [已完结]关于HOMO-LUMO gap的疑问 (4/1444) 骑英奔腾 2012-10-21 2012-10-24 11:37:01 by Lathander
[MS] [已完结]关于CASTEP Analysis的问题,急!! (2/913) 学员AcTPy7 2012-09-26 2012-10-24 10:34:02 by 729267452lgl
[Vasp&Me ] [已完结]VASP新手求问 单机装VASP (1/403) wkfan8988 2012-10-24 2012-10-24 10:29:26 by liliangfang
[MS] [已完结]MS做弹性模量计算的不同建模方式的精确度对比 (1/1857) yudanaimomo 2012-03-29 2012-10-24 08:04:26 by tonglijia
[其他] [已完结]castep软件,用来计算弹性模量的,麻烦知道的大侠帮个忙!    ( 1 2 ) (15/2110) 上官立群 2012-04-10 2012-10-24 07:55:25 by tonglijia
[MS] [已完结]science上发表过一篇关于三角形最稳定的贵金属的文章 (7/1005) gongjf 2012-10-23 2012-10-24 04:17:35 by gongjf
[MS] [已完结]急求硫的晶格常数及原子位置坐标 (1/861) luoluoasdf 2012-10-23 2012-10-23 20:41:14 by ice_rain
[Vasp&Me ] [已完结]VASP计算KPOINTS的错误 (2/652) liwenjing123 2012-10-23 2012-10-23 20:30:14 by fyuewen
[MS] [已完结]CASTEP 可以做出2维自旋电子密度图吗 (7/825) 李佳佳佳 2012-10-23 2012-10-23 19:04:50 by 李佳佳佳
[MS] [已完结]掺杂中的相变问题 (2/495) 贝芷苡 2012-10-21 2012-10-23 17:13:52 by 贝芷苡
[MS] [已完结]S的晶体结构 (3/438) luoluoasdf 2012-10-23 2012-10-23 17:06:45 by luoluoasdf
[Vasp&Me ] [已完结]关于锂电池中的氧化还原电对 (2/805) xiaoboy185 2012-10-23 2012-10-23 17:03:34 by xiaoboy185
[其他] [已完结]VESTA看图原子混合在一起 (1/601) xiaoboy185 2012-10-23 2012-10-23 16:33:16 by ice_rain
[Vasp&Me ] [已完结]掺杂元素的U值如何确定? (5/1422) lascqy 2012-10-19 2012-10-23 12:33:38 by Lathander
[MS] [已完结]几何优化设置 (1/460) 贝芷苡 2012-10-22 2012-10-23 10:02:42 by gkf高
[QE(Pwsc ] [已完结]vc-relax出错 (8/2786) ridge8888 2012-10-12 2012-10-23 09:12:17 by hanyanli0475
[MS] [已完结]通过声子态密度和色散谱怎么样计算声子群速度(声子速率) (0/998) 飞扬hunter 2012-10-23 2012-10-23 08:40:41 by 飞扬hunter
[其他] [已完结]使用endnote怎样把已引用到word中的文献期刊名全缩写 (1/721) janet2012222 2012-10-22 2012-10-22 21:55:29 by wolfmei
[Vasp&Me ] [已完结]要建一个Ni表面结构,求高人指点!感谢万分! (0/172) 何必所以 2012-10-22 2012-10-22 21:32:20 by 何必所以
[Vasp&Me ] [已完结]请问自洽计算所得电荷密度减去非自洽所的电荷密度是什么含义啊? (1/647) chenxin1992 2012-10-21 2012-10-22 20:48:53 by chenxin1992
[MS] [已完结]用MS如何建立碲化铋(Bi2Te3)的晶胞结构? (8/2907) 夏天的宁静 2012-10-14 2012-10-22 20:39:25 by 夏天的宁静
[其他] [已完结]endnote插文献没有插上 (4/545) janet2012222 2012-10-21 2012-10-22 18:04:13 by janet2012222
[MS] [已完结]ActiveX component can't creat object (0/349) C40814052 2012-10-22 2012-10-22 16:21:26 by C40814052
[MS] [已完结]MS软件计算拉曼光谱 (0/862) 叶仙儿 2012-10-22 2012-10-22 15:17:58 by 叶仙儿
[MS] [已完结]ThMn12的晶体结构中2a,8i,8j,8f位置哪些坐标位置? (2/1223) heusler 2012-10-20 2012-10-22 15:05:13 by heusler
[资源] [已完结]关于文章求助 (6/613) Andyzd 2012-10-18 2012-10-22 14:23:47 by franch
[MS] [已完结]怎样构建聚苯胺的模型 (7/1676) 313838515 2012-04-05 2012-10-22 13:14:32 by damihu2011
[MS] [已完结]为什么我的MS启动超级慢? (2/193) jayster 2012-10-12 2012-10-22 11:29:48 by jayster
[MS] [已完结]MS建模后替换原子导出poscar的问题 (0/559) singleman 2012-10-22 2012-10-22 10:23:09 by singleman
[Vasp&Me ] [已完结]vasp能带结构的计算 (0/441) stclaireva1 2012-10-22 2012-10-22 08:43:05 by stclaireva1
[Abinit] [已完结]ABINIT 求助声子画图问题 (1/534) 月空星痕 2012-10-17 2012-10-22 05:54:29 by Toapollo
[MS] [已完结]求助DOS图和band gap的分析,已附图,希望大家不吝指教,谢谢了    ( 1 2 ) (14/3790) 沁清漪 2012-10-19 2012-10-21 21:11:23 by 沁清漪
[MS] [已完结]新手重金求助:castep 中calculation中选项含义等资讯高手, 谢谢 (3/833) 一片儿陶客 2012-10-18 2012-10-21 09:04:22 by 一片儿陶客
[Wien2k& ] [已完结]wien2k 结构问题 (0/598) w6765579 2012-10-20 2012-10-20 14:28:51 by w6765579
[Vasp&Me ] [已完结]make libia32 compiler=gnu 时出现问题 fftw3xf make时的问题 (5/436) lzlgcdc 2012-10-18 2012-10-20 13:46:07 by lzlgcdc
[Vasp&Me ] [已完结]vasp 分析团簇结构的态密度 (0/733) gjh123 2012-10-20 2012-10-20 09:41:28 by gjh123
[Vasp&Me ] [已完结]态密度图分析——峰的高度能不能反映出原子间相互作用的强弱 (7/2729) 星愿9997 2012-10-17 2012-10-19 17:49:43 by 06022043
[MS] [已完结]MS4.3安装问题 (0/240) mranbo 2012-10-19 2012-10-19 17:27:05 by mranbo
[Siesta& ] [已完结]siesta编译的问题 (4/606) maomao-666 2012-10-18 2012-10-19 14:41:42 by maomao-666
[MS] [已完结]Materials Studio不同版本之间的差别 (5/4164) sidney_lz 2012-10-17 2012-10-19 10:03:34 by benben868
[MS] [已完结]求助:如何用MS软件构件钛酸铅的晶体结构 (1/597) happyyouknow 2012-10-18 2012-10-19 09:55:18 by lbambool
[Vasp&Me ] [已完结]vasp 结构弛豫 能量出现震荡 (1/1271) lgxyz 2012-10-19 2012-10-19 09:38:31 by enola
[MS] [已完结]MS晶体表面添加分子 (0/836) 2311248tfw 2012-10-19 2012-10-19 01:35:19 by 2311248tfw
[MS] [已完结]态密度图如何获得 (1/746) 贝芷苡 2012-10-18 2012-10-18 19:28:57 by 444239852
[MS] [已完结]求高手赐教 如何用MS构建表面重构模型 (1/1165) physiclin 2012-10-18 2012-10-18 18:02:50 by huangll99
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