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[热点] 心脉受损 偏振片 2025-12-18 刚刚
[Vasp&Me ] [已完结]计算单层片状结构的态密度 (0/447) stractor 2012-12-03 2012-12-03 09:37:09 by stractor
[Vasp&Me ] [已完结]关于VASP的POSCAR 可以设成非直角坐标吗 (0/310) xcid 2012-12-03 2012-12-03 09:33:37 by xcid
[Vasp&Me ] [已完结]弹性常数 (1/429) fjfuzhou 2012-10-13 2012-12-03 09:09:12 by xueht987
[Vasp&Me ] [已完结]v2xsf 请问各位这个软件分32位和64味的吗 (2/428) lzlgcdc 2012-12-02 2012-12-02 22:30:13 by lzlgcdc
[MS] [已完结]大家帮我看看,我的结果文件有什么问题 (3/1164) leilei024542 2012-12-01 2012-12-02 16:16:57 by leilei024542
[MS] [已完结]紧急求助,并行机台,连接运行错误 (0/300) doisunny 2012-12-02 2012-12-02 12:42:05 by doisunny
[Vasp&Me ] [已完结]费米能级 (4/593) 707462558 2012-11-28 2012-12-02 09:49:38 by 707462558
[热点前沿 ] [已完结]Ru4+的磁矩怎么算的 (1/1217) lvkai39 2012-12-01 2012-12-02 08:36:20 by lvkai39
[Vasp&Me ] [专家] [已完结][关贴]【已解决】VASP内存占用疯涨……看来得重新编译了……    ( 1 2 ) (14/3192) souledge 2012-11-22 2012-12-01 16:54:59 by souledge
[Vasp&Me ] [已完结]vasp带电缺陷形成能计算 (0/4321) Principle1st 2012-12-01 2012-12-01 15:42:30 by Principle1st
[其他] [已完结]十万火急求文献 (0/252) xyzzz986 2012-12-01 2012-12-01 10:58:15 by xyzzz986
[MS] [已完结]原子轨道重叠问题,急!!! (3/1158) 鱼落凡间6016 2012-11-28 2012-12-01 00:49:43 by 南飞探
[Abinit] [已完结]请求帮助,Abinit运行时遇到的问题 (5/700) meyhf 2012-11-26 2012-11-30 19:39:42 by mailoliver
[MS] [已完结]MS5.5 安装以后 关于LICENSE (6/971) 湘东浪里白条 2012-11-26 2012-11-30 18:58:42 by kcy87123777
[Vasp&Me ] [已完结]ISMEA=-5 不能进行计算 (5/855) lu_wei07 2012-11-30 2012-11-30 18:57:41 by 707462558
[Vasp&Me ] [已完结]非周期性的结构没有高对称点吗 (3/346) 707462558 2012-11-26 2012-11-30 17:55:39 by 707462558
[热点前沿 ] [已完结]关于无定形金属氧化物表面的模型 (0/387) xiaoboy185 2012-11-30 2012-11-30 17:24:11 by xiaoboy185
[Vasp&Me ] [已完结]vasp.5.lib 编译出错,求助如何改正 (1/1136) zjucy 2012-11-29 2012-11-30 16:37:04 by lizhi1314
[MS] [已完结]materials studio FOM值 (1/1100) mansamsung8113 2011-09-20 2012-11-30 16:31:44 by xiehuaiyan
[MS] [已完结]请教 (2/239) hecking 2012-08-28 2012-11-30 13:50:03 by fjfuzhou
[MS] [已完结]Dmol3 算晶体的能力限制是多少?内存怎么配置? (1/716) gauss98 2012-11-28 2012-11-30 11:38:38 by gauss98
[Siesta& ] [已完结]关于计算结果选取ETOT 还是 free ENG的问题(siesta) (2/406) wyding 2012-11-30 2012-11-30 10:55:45 by wyding
[Vasp&Me ] [已完结]vasp安装问题    ( 1 2 ) (14/1505) 贝芷苡 2012-11-27 2012-11-30 08:54:54 by 贝芷苡
[Vasp&Me ] [已完结]请教split_dos处理DOS的相关问题 (4/1530) gtssongchi 2012-11-15 2012-11-29 22:57:31 by lu_wei07
[MS] [已完结]MS如何作出半导体不同能带位置对应的电荷密度分布 (2/853) shijiangjian 2012-11-28 2012-11-29 21:49:23 by shijiangjian
[Vasp&Me ] [已完结]结构优化与静态计算 (1/526) lizhi1314 2012-11-19 2012-11-29 21:24:31 by 贝芷苡
[Wien2k& ] [已完结][关贴]wien2k 错误 (1/437) haily 2011-11-04 2012-11-29 19:41:14 by haily
[MS] [已完结]MS之DMOL3中的任务排队问题?求解... (6/1140) zfx611424 2012-02-26 2012-11-29 15:37:17 by liangzhibin
[MS] [已完结]能带结构计算结束后,从服务器上下载下来结果文件后,如何读出能带结构图? (1/554) seuzzj 2012-04-15 2012-11-29 15:32:59 by liangzhibin
[MS] [已完结]castep理论计算可以对半导体气体传感器的原理进行分析吗? (2/325) dxiao1028 2012-11-29 2012-11-29 14:32:02 by dxiao1028
[MS] [已完结]Materials studio for Linux 5.5 (1/280) Calm913 2012-11-07 2012-11-29 12:30:16 by 301ustb
[Vasp&Me ] [已完结]在作界面计算时如何确定U的值 (0/391) fengnan127 2012-11-29 2012-11-29 12:08:49 by fengnan127
[MS] [已完结]MS建模根本什么也看不见 (2/334) lu_wei07 2012-11-28 2012-11-29 11:06:03 by lu_wei07
[MS] [已完结]弹性常数 (2/363) haitian123 2012-11-22 2012-11-29 10:47:32 by fjfuzhou
[Vasp&Me ] [已完结][关贴]结构优化BRMIX: very serious problems the old and the new charge density diff    ( 1 2 ) (12/3899) zyren123 2012-11-22 2012-11-29 08:50:58 by future_wl
[Vasp&Me ] [已完结]vasp安装问题 (3/572) 贝芷苡 2012-11-28 2012-11-29 08:23:07 by 贝芷苡
[热点前沿 ] [已完结]旋涂用的烤胶台,可以用紫外灯代替吗? (2/601) 苦咖啡酸苹果 2012-11-27 2012-11-29 07:58:53 by 苦咖啡酸苹果
[MS] [已完结]castep计算出现mpi问题 (8/1990) 墨客 2012-05-03 2012-11-29 07:08:07 by pengliusss
[MS] [已完结]我在MS计算声子时遇到这个问题,请问高手们这个怎么解决? (2/552) 学员MQJm92 2012-04-10 2012-11-29 06:55:18 by pengliusss
[MS] [已完结]恳请高手指点:在castep计算中,可以给某个原子赋予初速度或者外力吗? (0/255) miazl 2012-11-28 2012-11-28 22:33:36 by miazl
[Vasp&Me ] [已完结]vasp计算什么样的计算才算是精度高的计算 (2/712) 707462558 2012-11-21 2012-11-28 22:27:17 by 707462558
[MS] [已完结]DPD建立聚合物刷模型 (3/728) 风吹雪下 2012-11-06 2012-11-28 21:37:11 by tianlangxingaa
[Vasp&Me ] [已完结]高压下的弹性常数 (0/660) yjwyjwyjw 2012-11-28 2012-11-28 21:14:33 by yjwyjwyjw
[Vasp&Me ] [已完结]用VASP能不能算单层原子的结合能 (0/500) hutudiangong 2012-11-28 2012-11-28 19:42:39 by hutudiangong
[MS] [已完结]作图高手进来看下,为什么我的能带图这样扭曲    ( 1 2 ) (17/2390) MC-unmecrcy 2011-12-14 2012-11-28 17:53:34 by gemucai
[Vasp&Me ] [已完结]VASP计算吸附能时,各部分的能量是否都要用优化后然后静态计算的能量 (2/1365) mitong 2012-11-25 2012-11-28 15:22:01 by karen_jiejie
[Vasp&Me ] [已完结]100原子以下的杂化泛函计算或是GW计算的机器配置和价格 (5/1005) mazuju028 2012-11-25 2012-11-28 15:08:05 by zhshch
[Vasp&Me ] [已完结]VASP测试k点的时候报错 (8/3371) caesarly 2012-06-10 2012-11-28 13:01:15 by future_wl
[Siesta& ] [已完结]transiesta计算终止 (0/431) xiongxiong5712 2012-11-28 2012-11-28 11:26:40 by xiongxiong5712
[Vasp&Me ] [已完结]求vasp benchmark.tar 和bench.Hg.tar 文件 (2/318) wangz00 2012-11-27 2012-11-28 11:01:52 by wangz00
[Vasp&Me ] [已完结]CHGCAR 的数据 实空间 还是倒空间? (8/1034) nodding 2012-10-25 2012-11-28 10:51:28 by fjfuzhou
[Vasp&Me ] [已完结]vasp 计算完,怎么求单位原子成键数 (0/946) aaa207 2012-11-28 2012-11-28 10:15:43 by aaa207
[MS] [已完结]怎样让MS输入的晶体结构图更为清晰 (5/1251) hwceng0816 2012-11-26 2012-11-28 09:10:01 by stefsui
[Vasp&Me ] [已完结]如何固定FFT 格子 (4/2210) xiaoluoj 2012-08-26 2012-11-28 07:53:21 by fjfuzhou
[Vasp&Me ] [已完结]vasp 无结果 (4/521) yangfeng513 2012-11-24 2012-11-27 22:18:00 by fdd096030079
[Vasp&Me ] [已完结]VASP计算-考虑自旋极化 (3/2890) yjwyjwyjw 2012-11-27 2012-11-27 20:18:46 by emilyoyang
[Vasp&Me ] [已完结]vasp计算sigma3倾侧晶界 (1/1083) gaods101@163 2011-05-09 2012-11-27 19:04:28 by lijuanshu
[MS] [已完结]如何利用ms建立Ni∑5(210)晶界原胞模型 (2/1200) shui449 2011-09-21 2012-11-27 19:02:02 by lijuanshu
[Vasp&Me ] [已完结]计算单个磷(P)原子能量 (1/882) didadida321 2012-11-27 2012-11-27 18:14:39 by 06022043
[Siesta& ] [已完结]siesta 计算磁性的问题 (3/722) mengfc 2012-10-23 2012-11-27 18:04:24 by lu_wei07
[MS] [已完结][关贴]castep scf不收敛怎么办,怎么办!! 急急急!! (3/3562) leilei024542 2012-11-26 2012-11-27 17:26:57 by w1988z03
[MS] [已完结]关于几何优化(我是初学者,见笑) (9/2764) minhuihua 2011-11-20 2012-11-27 14:08:01 by w1988z03
[Siesta& ] [已完结]transiesta的计算 (3/813) maomao-666 2012-10-30 2012-11-27 12:04:22 by 584931986
[Vasp&Me ] [已完结]初次使用VASP,请求帮助 (6/1034) lengqiang 2012-11-25 2012-11-27 11:28:47 by lengqiang
[Vasp&Me ] [已完结]关于计算的自旋密度分布的等值面 (0/680) 王建春198728 2012-11-27 2012-11-27 10:51:18 by 王建春198728
[MS] [已完结]掺杂优化晶胞不收敛 急 (0/840) 菲顶顶 2012-11-27 2012-11-27 10:08:59 by 菲顶顶
[Vasp&Me ] [已完结]AFM 计算,VASP自动终止了计算。求解答。 (1/1170) bill686433 2012-11-26 2012-11-27 10:07:01 by bill686433
[Vasp&Me ] [已完结]安装VASP时出现如下问题 (0/158) 王建春198728 2012-11-27 2012-11-27 09:18:56 by 王建春198728
[Vasp&Me ] [已完结]MedeA 大约多少钱可以买下········· (3/1169) Mr_WuSH 2012-11-26 2012-11-27 08:30:03 by likai0106
[QE(Pwsc ] [已完结]建模 面心正交晶格 体心四方晶格 (6/2238) hanyanli0475 2012-01-06 2012-11-27 06:54:18 by 飞扬hunter
[Siesta& ] [已完结]tbtrans计算失败 (0/550) xiongxiong5712 2012-11-27 2012-11-27 00:01:46 by xiongxiong5712
[Vasp&Me ] [已完结]d轨道形状解释 (0/816) zhang668 2012-11-26 2012-11-26 22:16:34 by zhang668
[热点前沿 ] [已完结]拉伸应力应变曲线横轴变大 (0/520) janet2012222 2012-11-26 2012-11-26 19:56:51 by janet2012222
[MS] [已完结]MS VS Vasp    ( 1 2 ) (12/1808) anlen0615 2012-11-20 2012-11-26 18:21:41 by anlen0615
[MS] [已完结]如何知道Cr3C2的各原子坐标呢,要用MS建模 (0/248) 飞扬hunter 2012-11-26 2012-11-26 16:43:03 by 飞扬hunter
[Vasp&Me ] [已完结]优化后模型完全变形了 (8/1603) 707462558 2012-11-21 2012-11-26 16:29:01 by 707462558
[MS] [已完结]强电子关联体系 (1/505) 鱼落凡间6016 2012-11-26 2012-11-26 16:26:37 by 鱼落凡间6016
[Vasp&Me ] [已完结]请各位帮我看看 优化后的结构散乱 (2/262) lzlgcdc 2012-11-25 2012-11-26 10:18:06 by lzlgcdc
[MS] [已完结]关于sorption 模块 (0/341) C40814052 2012-11-26 2012-11-26 09:04:43 by C40814052
[其他] [已完结]Bader charge (0/550) 骑英奔腾 2012-11-26 2012-11-26 08:26:39 by 骑英奔腾
[MS] [已完结].cell生成后原子坐标不对 (3/343) lzlgcdc 2012-11-25 2012-11-26 00:24:48 by lzlgcdc
[Vasp&Me ] [已完结]用vasp优化结构 断电了 (2/680) 707462558 2012-11-24 2012-11-25 22:12:06 by 707462558
[Vasp&Me ] [已完结]VASP 计算E-V曲线求助。。    ( 1 2 ) (10/2352) mxl10000 2012-11-23 2012-11-25 21:22:23 by mxl10000
[Wien2k& ] [已完结]哪路神仙指点下wien 2k 计算ZnS,ZnSe,ZnTe的计算参数 (0/351) 笑`笑 2012-11-25 2012-11-25 21:03:45 by 笑`笑
[Vasp&Me ] [已完结]vasp刚开始按就出问题……求助各位啊 (6/997) lzlgcdc 2012-10-16 2012-11-25 20:35:22 by liliangfang
[Vasp&Me ] [已完结]求助HSE计算,急 (4/913) lengqiang 2012-11-25 2012-11-25 16:20:30 by future_wl
[Vasp&Me ] [已完结]vasp-neb 收敛问题求助 (5/1714) wyf198166 2011-12-09 2012-11-25 12:01:05 by xiaoluoj
[其他] [已完结]求ICSD编号为38294的PbSe详细结构参数!! (3/532) kugou521 2012-11-23 2012-11-25 10:40:17 by kugou521
[热点前沿 ] [已完结]IGLO方法那些程序可以计算? (3/733) 10010602004 2012-07-11 2012-11-25 10:25:45 by leimiao_hit
[MS] [已完结]哪位高手帮我解决一下气体吸附的建模问题啊 急 (8/857) fanqy1991 2012-11-23 2012-11-24 10:41:50 by zhunzhunbing
[MS] [已完结]正交晶系k点选取 (8/1509) 嗨,大家好 2012-11-21 2012-11-24 10:12:49 by 707462558
[其他] [已完结]ZnS 的cohesive energy 是多少?(eV) (0/457) ice_rain 2012-11-24 2012-11-24 09:57:22 by ice_rain
[Vasp&Me ] [已完结]vasp或MS能做出这种图吗 (9/1414) xiaoluoj 2012-10-15 2012-11-24 09:06:49 by 707462558
[Vasp&Me ] [已完结]结构优化问题 求指导    ( 1 2 ) (19/1123) lzlgcdc 2012-11-20 2012-11-24 04:51:44 by elementAt
[MS] [已完结]怎样用material studio生成包含conect字段的坐标文件???? (0/317) xiaosaizhao 2012-11-23 2012-11-23 23:20:29 by xiaosaizhao
[Abinit] [已完结]声子谱计算光学支问题---求高手指导 (0/1452) 月空星痕 2012-11-23 2012-11-23 17:19:37 by 月空星痕
[MS] [已完结]关于原子固态时能量的计算求解 (0/295) xiao9xie 2012-11-23 2012-11-23 17:02:17 by xiao9xie
[MS] [已完结]真实电镜图与模型图的结合 (0/871) zhuguomin1 2012-11-23 2012-11-23 16:45:07 by zhuguomin1
[MS] [已完结]通过服务器--计算平台 如何得到castep几何优化结构.xsd? (0/278) pengliusss 2012-11-23 2012-11-23 16:41:55 by pengliusss
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