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[热点] 到新单位后,换了新的研究方向,没有团队,持续积累2区以上论文,能申请到面上吗 锦衣卫寒战 2025-12-14 刚刚
[其他] 【求助】团簇计算 (7/1216) 278036903 2010-05-11 2010-05-11 20:58:58 by 278036903
[热点前沿 ] 【求助】团簇对称性 (6/1473) 278036903 2010-05-07 2010-05-11 20:16:10 by 278036903
[Vasp&Me ] 【求助】用VASP计算应力,怎么控制方向? (2/1092) fulin 2010-04-30 2010-05-11 20:00:04 by fulin
[其他] 【其他】一个小讨论 (6/892) sidney_lz 2010-05-11 2010-05-11 18:36:26 by wuli8
[MS] 【求助】计算总是失败的原因,请高人指点! (7/827) qx08131989 2010-05-11 2010-05-11 17:55:59 by shelay
[Vasp&Me ] 【求助完毕】计算吸附能的时候要除以原胞的个数,有什么物理意义呢?    ( 1 2 ) (10/1638) cenwanglai 2010-05-05 2010-05-11 17:13:18 by 漂泊四方
[MS] 【求助】al2o3表面能计算的问题 (评阅+1) (3/1024) 人在江湖浪 2010-05-08 2010-05-11 17:01:54 by franch
[MS] 【求助】如何对Discovery模块下的体系加压 (评阅+1) (2/350) 78tengfei 2010-03-04 2010-05-11 16:20:53 by siga5609
[MS] 【求助】请问固体的红外吸收谱用什么计算比较好? (0/262) mazuju028 2010-05-11 2010-05-11 15:19:49 by mazuju028
[热点前沿 ] 【求助】请教parameters of Sutton-Chen Potential 里的问题 (0/250) meimeinn 2010-05-11 2010-05-11 15:01:55 by meimeinn
[MS] 【求助】CASTEP优化结构的稳定性问题 (4/783) Lucky2680 2010-05-11 2010-05-11 14:51:18 by Lucky2680
[Siesta& ] 【求助】用siesta算光学性质时出现的错误 (1/424) caqhero 2010-05-11 2010-05-11 13:36:14 by zhanghuiyuan
[MS] 【求助】缔合物建模 (6/640) lovemydog 2010-05-07 2010-05-11 11:39:28 by lovemydog
[MS] 【求助】DPD中这种情况算不算是控温失败? (1/295) Dream-weaver 2010-05-10 2010-05-11 09:40:05 by Dream-weaver
[Vasp&Me ] 【其他】讨论团簇的熔点计算 (2/788) wangzg9292 2010-04-29 2010-05-11 09:30:24 by stractor
【求助】建模 (0/148) liufengbao100 2010-05-11 2010-05-11 08:27:16 by liufengbao100
[MS] 【求助】投稿时表格需要单独上传么? (1/418) btvipvip 2010-05-10 2010-05-11 08:23:03 by ym23
[MS] 【求助】为何我DOM3升级之后 Morphology 不能用了啊 那位大侠帮忙一下 (0/133) 睡觉的猫 2010-05-10 2010-05-10 23:21:55 by 睡觉的猫
[MS] 【求助】为啥我的DMol3升级之后~Morphology无法打开页面 (0/188) 睡觉的猫 2010-05-10 2010-05-10 23:21:49 by 睡觉的猫
[MS] 【求助】discover中浓度剖面分布图问题 (0/317) shengxiang 2010-05-10 2010-05-10 23:21:39 by shengxiang
[MS] 【求助】castep中电荷的问题 (3/835) hyliu0618 2010-05-08 2010-05-10 22:36:33 by hyliu0618
[QE(Pwsc ] 【求助】新手求助 (1/461) mermaid1128 2010-05-10 2010-05-10 22:12:20 by goldenfisher
[MS] 【求助】CASTEP如何计算透过率 (1/580) Lucky2681 2010-05-10 2010-05-10 22:08:42 by B.C.Wang
[MS] 【重点讨论】掺杂原子化合价怎么确定    ( 1 2 ) (评阅+2) (10/3264) 姚姗姗 2010-04-08 2010-05-10 22:06:19 by B.C.Wang
[MS] 【求助】ms5安装问题 (3/453) Excaliburn 2010-05-10 2010-05-10 19:07:23 by jghe
[Vasp&Me ] 【求助】团簇INCAR文件的设置 (9/1496) chimegreen 2010-03-22 2010-05-10 18:19:19 by meinvren
[Vasp&Me ] 【求助】VASP,算的是CaFe2As2,结果DOSCAR中全部是零 (7/1446) gleerat 2010-04-30 2010-05-10 18:17:58 by meinvren
[MS] 【求助】MS计算的时候必需要联网吗?    ( 1 2 ) (17/2139) 04nylxb 2010-05-07 2010-05-10 18:17:22 by luxia0210
[其他] 【求助】态密度 (2/421) dzhijie 2010-05-10 2010-05-10 18:03:11 by luxia0210
[MS] 【求助】关于掺杂的问题 (6/1365) ramble81 2010-05-05 2010-05-10 18:02:19 by luxia0210
[其他] 【其他】马来酸酐性质 (1/618) jiaolijie 2009-09-23 2010-05-10 16:25:59 by henanxxhj
[MS] 【求助】ms在linux上运行不到几秒就停了。大家帮帮忙啊! (3/501) mafei028 2010-05-10 2010-05-10 16:22:11 by zzy870720z
[Siesta& ] 【求助】关于siesta的几何结构优化中断后继续的问题【完结】 (6/1838) zhangguangping 2010-04-15 2010-05-10 15:10:35 by zhangguangping
[MS] 【求助】偶极距自相关函数分析 (1/774) zhangkun7581 2010-05-06 2010-05-10 14:02:46 by franch
[MS] 【求助】请教atom properties 中几个基本参数的意义 (1/423) casjxm 2010-05-06 2010-05-10 13:54:01 by franch
[MS] 【求助】声子谱 (6/753) newton3915 2010-05-09 2010-05-10 13:47:07 by xirainbow
[MS] 【求助成功】Dmol数据导出 (3/354) 子虚乌有5388 2010-05-08 2010-05-10 13:46:50 by ym23
[MS] 【求助】Castep中遇到一几何优化问题,紧急求助! (5/991) flyfly20069888 2010-05-10 2010-05-10 13:14:31 by franch
[MS] 【求助】dmol3和castep应用区别在哪? (1/2539) yuanfang4123 2010-05-10 2010-05-10 11:06:00 by ym23
[Vasp&Me ] 【求助】VASP 编译出错    ( 1 2 3 ) (24/2417) wzh上善若水 2010-04-20 2010-05-10 10:34:25 by wzh上善若水
[Wien2k& ] 【求助】求几篇用wien2k计算的中文文章 (4/787) gzqdyouxia 2010-03-28 2010-05-10 10:30:28 by 天空空
[Vasp&Me ] 【求助】计算单个Fe原子,无法收敛,请教    ( 1 2 ) (19/2596) marklau 2010-05-04 2010-05-09 23:30:04 by yb2006
[热点前沿 ] 【求助】请问SrS,SrSe和SrTe是离子化合物吗? (2/1110) wy2008szy 2010-02-23 2010-05-09 22:41:41 by rainywrn
[MS] 【求助】k-piont 怎么确定的啊?    ( 1 2 ) (16/1596) zmrright 2010-05-03 2010-05-09 20:38:02 by wzh上善若水
[MS] 【求助】MS建结构的问题 (8/886) 随心意 2010-05-05 2010-05-09 20:14:06 by 随心意
[MS] 【求助】怎么保存不了? (6/555) yingxiong8827 2010-05-01 2010-05-09 20:03:47 by wuli8
[MS] 【求助】怎样建模? (7/666) yingxiong8827 2010-04-30 2010-05-09 20:01:34 by yingxiong8827
[其他] 【求助】NAMD、VMD都免费吗 (8/4016) 574384607 2010-04-15 2010-05-09 15:56:52 by zzy870720z
[MS] 【求助】如何用CASTEP算剪切模量 (2/957) pingxin 2010-05-09 2010-05-09 12:38:23 by zxling
[其他] 【求助】MS4.4文件误删如何恢复 (0/327) 躬莫 2010-05-09 2010-05-09 11:52:47 by 躬莫
[MS] 【求助】求推荐几个Dmol进行界面建模,计算的教程 (2/339) michael1883 2010-05-09 2010-05-09 11:13:08 by zuozhijun5134
[MS] 【讨论】利用castep计算ZnO能带带隙 算过的看看    ( 1 2 3 ) (评阅+1) (20/5085) ljjhb1 2009-10-09 2010-05-09 09:47:57 by stractor
[其他] 【求助】哪位大牛帮忙介绍一下国内目前做储氢与模拟结合比较牛的组 (6/1500) willnash 2010-05-08 2010-05-09 09:41:02 by stractor
[Vasp&Me ] 【求助】运行lev00.comp是出现错误 (2/390) zhjh888888 2010-05-07 2010-05-09 08:34:56 by zhjh888888
[MS] 【其他】用GULP动力学得到的.xtd用discover分析 (3/502) zxc1233 2010-05-08 2010-05-08 19:59:20 by zxc1233
[Vasp&Me ] 【求助】NEB 过渡态的时候总是优化成反应物 与产物 (4/621) chuchu6816 2010-05-07 2010-05-08 10:23:45 by chuchu6816
[MS] 【求助】MS测试时出错 (4/1281) piaoxue001 2010-04-22 2010-05-08 09:34:12 by piaoxue001
[MS] 【求助】dmol运行问题 (2/695) longchang 2010-04-22 2010-05-07 22:36:17 by wang0912302
[Siesta& ] 【求助】如何修改Au电极距离 (3/779) wangrenni 2010-04-07 2010-05-07 17:01:32 by dxqhjj2008
[MS] 【求助】MS输出的CIF文件内原子顺序是否可调(同类原子放在一起) (0/642) yq2240711 2010-05-07 2010-05-07 16:52:01 by yq2240711
[MS] 【求助】DMOl3中电场怎么加? (4/1143) shengfengyu 2010-04-27 2010-05-07 16:41:04 by zhangkun7581
[QE(Pwsc ] 【求助】Pwscf计算下的fractional coordinate (5/939) 等待的心 2010-03-20 2010-05-07 14:33:58 by valenhou001
[Vasp&Me ] 【求助】磁性与晶格优化    ( 1 2 ) (17/1687) nkleof 2010-04-22 2010-05-07 14:22:08 by valenhou001
[MS] 【求助】请问怎样对一个层状块体施加XY周期边界条件,而Z是自由边界条件? (8/1090) zxc1230 2010-05-06 2010-05-07 13:37:23 by zxc1230
[MS] 【求助】Trapped SIGINT or SIGTERM.linux下运行ms5.0的问题 (0/1061) cathy-zhang7777 2010-05-07 2010-05-07 12:34:32 by cathy-zhang7777
[MS] 【求助】说说大家优化分子都用什么关联函数? (3/495) 不眠人 2010-01-22 2010-05-07 12:03:19 by drintor
[MS] 【求助】计算两个界面的粘着功,用不用将除了界面原子以外的原子固定 (1/294) 静峰 2010-05-07 2010-05-07 10:13:51 by 静峰
[MS] 【求助】关于振动谱再提个问题呀 (2/268) shengfengyu 2010-05-06 2010-05-07 09:45:22 by shengfengyu
[QE(Pwsc ] 【求助】Quantum ESPRESSO 4.1.3 的并行计算设置 (5/1469) byin 2010-05-06 2010-05-07 09:40:09 by byin
[MS] [关贴]【求助】求助!关于西安交大分子模拟论坛. (0/287) leisy 2010-05-07 2010-05-07 09:28:06 by leisy
[Vasp&Me ] [关贴]【求助】想学习vasp,求vasp 4.6安装文件 (0/258) 信任开花 2010-05-07 2010-05-07 09:25:00 by 信任开花
[其他] 【求助】合金表面建立 (2/302) 278036903 2010-05-06 2010-05-07 09:19:49 by 278036903
[MS] 【求助】光学计算时换Norm-conserving pseudopotentials出错 (1/700) xmc8362 2010-05-06 2010-05-07 09:17:27 by xmc8362
[QE(Pwsc ] 【求助】pwscf计算中出现的问题 (2/716) zhl2967 2010-05-06 2010-05-07 08:40:31 by goldenfisher
[MS] 【求助】linux下安装MS软件不成功 (9/2392) canbill 2009-06-04 2010-05-06 21:08:49 by wzh上善若水
[QE(Pwsc ] 【求助】单斜结构的对称性 (0/997) zhl2967 2010-05-06 2010-05-06 20:52:35 by zhl2967
[Vasp&Me ] 【求助】GW计算出错的问题 (1/331) lxbyf 2010-05-04 2010-05-06 19:43:52 by valenhou001
[Vasp&Me ] 【求助】vasp磁性计算问题 (8/2197) hechun_2227865 2010-04-30 2010-05-06 19:39:05 by valenhou001
[Siesta& ] 【求助】effective potential 和electrostatic difference potential分别算什么的啊? (1/1064) panjinbo87 2010-04-14 2010-05-06 19:20:07 by valenhou001
[QE(Pwsc ] 【求助】请教nelup和neldw怎么设定呢? (1/253) identation 2010-03-31 2010-05-06 19:13:07 by valenhou001
[QE(Pwsc ] 【求助】布里渊区形状及特殊k点 (5/1394) zhl2967 2010-03-12 2010-05-06 19:00:57 by valenhou001
[QE(Pwsc ] 【分享】The Name of ESPRESSO (2/856) xirainbow 2010-05-05 2010-05-06 18:58:25 by valenhou001
[MS] 【求助】没考虑自旋时半金属的能带怎么分析啊 (1/566) azxure 2010-05-06 2010-05-06 18:50:45 by valenhou001
[Abinit] 【求助】关于吸附某中体系后电子转移了多少 (3/950) 李艳慧 2010-04-27 2010-05-06 18:47:09 by valenhou001
[Vasp&Me ] 【求助】问题探讨硼是否能跟碲化合形成化合物 (2/276) 2008911 2010-05-05 2010-05-06 18:43:45 by valenhou001
[MS] 【求助】优化一个包含100个金属原子的团簇用什么软件比较好 (3/870) tiantian2921 2010-05-06 2010-05-06 16:31:11 by ustc
[Siesta& ] 【求助】用siesta算ZnO的问题 (4/576) huangshp 2010-05-06 2010-05-06 13:10:36 by huangshp
[其他] 【求助】准备配一个台式服务器,大家能给个建议啊    ( 1 2 3 ) (22/1621) yzcluster 2010-05-01 2010-05-06 12:34:29 by y.q.liu
[MS] 【求助】高分子链结构模拟及能量最小化问题 (2/575) lifenliu 2010-05-06 2010-05-06 12:00:46 by 542467785
[MS] 【求助】在MS里面建立结构 (0/352) rdw00 2010-05-06 2010-05-06 11:06:27 by rdw00
[MS] 【求助】CASTEP DMOL3能得到波函数么? (2/716) 布布狗 2010-05-04 2010-05-06 10:55:04 by 布布狗
[QE(Pwsc ] 【讨论】可否用超软赝势计算红外光谱    ( 1 2 ) (11/1599) identation 2010-05-01 2010-05-06 10:51:41 by xirainbow
[Vasp&Me ] 【求助成功】为什么我的CeO2晶格常数测试结果是5.35呢?    ( 1 2 ) (10/1334) cenwanglai 2010-05-04 2010-05-06 10:50:57 by zzy1123
[MS] 【求助】Ms中,苯的加氢问题 (7/1737) freeradish 2010-05-05 2010-05-06 10:45:01 by qzhaosdu
[MS] 【求助】sorption 能否计算空晶胞吸附h2 (0/149) tandz 2010-05-06 2010-05-06 09:46:06 by tandz
[Abinit] 【求助】ABINIT中是否可以用GW算结合能? (9/1175) zxling 2010-04-28 2010-05-06 09:23:58 by zxling
[MS] 【求助】紧急求助几何优化后变形 (7/1572) nica 2010-04-28 2010-05-06 00:09:07 by crystalgirl1
[MS] 【求助】摻杂问题    ( 1 2 ) (13/1517) crystalgirl1 2010-04-29 2010-05-06 00:03:15 by crystalgirl1
[MS] 【求助】DMOL3优化问题 (2/577) li19860206 2010-05-05 2010-05-05 21:46:29 by zhangfan2192
[MS] 【求助】Morphology 为什么运行选项是空白啊~ (1/225) 睡觉的猫 2010-05-03 2010-05-05 21:06:29 by 睡觉的猫
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