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[热点] 高分子化学与物理调剂 好好好1233 2026-03-01 刚刚
[Vasp&Me ] 【原创】hit a member that was already found in another star的解决方法 (评阅+2) (5/915) bingmou 2010-10-06 2011-01-08 20:10:53 by bingmou
[Vasp&Me ] 【求助】请教如何做做电子态密度图 (1/356) smile8932 2011-01-07 2011-01-07 12:40:50 by 0610240
[Vasp&Me ] [关贴]【求助】vasp 输出问题? (4/532) 拓海1627 2011-01-06 2011-01-07 09:09:09 by 拓海1627
[Vasp&Me ] 【求助】vasp 态密度 波函数 (1/581) ywyou 2011-01-06 2011-01-07 04:38:28 by umklapp
[Vasp&Me ] 【求助】一维或二维问题可以用ismear=-5么 (4/715) 小木虫于 2011-01-06 2011-01-07 04:35:25 by umklapp
[Vasp&Me ] 【求助已成功】VASP赝势中考虑不同的外层电子 (2/302) xiaowu787 2011-01-06 2011-01-06 11:49:31 by xiaowu787
[Vasp&Me ] 【求助】VASP (6/565) gmy1990 2011-01-03 2011-01-06 09:19:45 by apple3260
[Vasp&Me ] 【求助】这样的图该怎么做 (1/294) fulin 2011-01-04 2011-01-05 19:50:43 by lzl8181
[Vasp&Me ] 【求助】掺杂时有关能带的计算 (1/703) wanglei200 2011-01-05 2011-01-05 19:35:10 by lzl8181
[Vasp&Me ] 【求助】VASP 运行出现的问题    ( 1 2 ) (13/714) 拓海1627 2010-12-30 2011-01-05 14:31:22 by 拓海1627
[Vasp&Me ] 【求助】关于拟合得到体弹性模量&自旋极化&LDA+U等问题,望大家指点指点 (4/2302) fzuvivi 2010-12-27 2011-01-05 14:15:49 by zzy870720z
[Vasp&Me ] 【求助】禁带宽度的读取 (3/1513) bananawuzhu 2011-01-05 2011-01-05 11:21:08 by guolianshun
[Vasp&Me ] 【求助成功】ENCUT 测试脚本出错 (2/319) 拓海1627 2011-01-05 2011-01-05 10:13:21 by 拓海1627
[Vasp&Me ] 【求助】费米面附近的能级与原子的轨道能级关系 (10/2120) smile8932 2011-01-04 2011-01-04 23:43:32 by 贺仪
[Vasp&Me ] 【求助】potpaw_PBE赝势里的Ga Ga_d Ga_h这三个赝势什么区别 (1/1014) 215215 2011-01-04 2011-01-04 18:59:29 by vaspnew
[Vasp&Me ] [关贴]无人应助,关闭该贴! (1/248) hedge 2010-12-07 2011-01-04 17:00:42 by hedge
[Vasp&Me ] 【求助】对于确定的ediffg(负值) 如何在outcar中,通过数值查看收敛情况。 (0/1734) 小木虫于 2011-01-04 2011-01-04 09:15:51 by 小木虫于
[Vasp&Me ] 【求助】VASP 计算速度监控 (2/644) 拓海1627 2011-01-02 2011-01-03 11:02:18 by 拓海1627
[Vasp&Me ] 【求助】vasp 高压相结构优化    ( 1 2 ) (17/2270) qiqi2926 2010-12-27 2011-01-02 14:26:06 by zhang668
[Vasp&Me ] 【求助】vasp怎么计算超胞 (1/426) bluegirlll 2011-01-01 2011-01-01 23:40:42 by pro_junjie
[Vasp&Me ] 【求助完毕】Error reading item 'IMAGES' from file INCAR    ( 1 2 ) (13/2259) juliaxinyi 2010-02-03 2011-01-01 10:20:05 by enola
[Vasp&Me ] 【求助】关于单机2cpu8核的mpich2设置问题! (评阅+2) (5/1681) taijifeng 2010-12-31 2011-01-01 10:14:59 by ifmc1234
[Vasp&Me ] 【求助】关于VASP运行时的警告 (1/457) llg1987 2010-12-30 2010-12-31 18:05:41 by 夕阳西下
[Vasp&Me ] 【求助】急求助vasp5.2串行版本的运行 (评阅+1) (1/298) jimuchun 2010-12-31 2010-12-31 12:36:49 by cenwanglai
[Vasp&Me ] 【求助】vasp优化LREAL选择? (1/866) weiwei128 2010-12-31 2010-12-31 09:28:41 by cenwanglai
[Vasp&Me ] 【求助】vasp5.2并行问题 (2/687) 虾米学习 2010-12-27 2010-12-30 22:47:24 by taijifeng
[Vasp&Me ] 【求助】关于怎样用MS来生成POSCAR? (3/1235) llg1987 2010-12-28 2010-12-30 19:27:32 by zhang668
[Vasp&Me ] 【求助】关于vasp进行分子动力学模拟的求助    ( 1 2 ) (12/3235) ice_rain 2010-10-22 2010-12-30 15:17:54 by jxx0108
[Vasp&Me ] 【求助】VASP5.2 编译出错make: *** [vasp] 错误 1,请大家帮忙分析分析,谢谢 (7/2144) liuhengjin 2010-12-22 2010-12-29 21:13:43 by liuhengjin
[Vasp&Me ] 【分享】一个绘制band的python小程序 (评阅+1) (4/1436) hakuna 2010-12-26 2010-12-27 23:09:27 by akakcolin
[Vasp&Me ] 【求助】计算弹性常数和声子态密度 (2/453) fengshiquan 2010-12-26 2010-12-27 21:01:22 by bingmou
[Vasp&Me ] 【求助】计算掺杂参数设置 (4/1004) 215215 2010-12-26 2010-12-27 20:56:09 by songdewang
[Vasp&Me ] 【求助】vasp静态计算出现的WARNING (18/9882) haowenping 2010-12-24 2010-12-27 20:52:13 by haowenping
[Vasp&Me ] [关贴]【求助成功】优化构型时固定原子的问题 (4/559) 缺心眼桌 2010-12-27 2010-12-27 15:17:33 by 缺心眼桌
[Vasp&Me ] 【求助】帮我看看,这图是怎么画出来的 (2/304) fulin 2010-12-26 2010-12-27 07:59:27 by sidney_lz
[Vasp&Me ] 【其他】那里有MedeA下载啊?我在这里没找到。 (1/857) hbcsucy 2010-12-26 2010-12-27 01:14:45 by ferretl
[Vasp&Me ] 【求助】请教vasp的问题 (4/851) lynarcissusly 2010-12-24 2010-12-26 20:39:48 by lynarcissusly
[Vasp&Me ] 【分享】计算、绘制能带的mathmatica程序 (评阅+2) (0/305) hakuna 2010-12-26 2010-12-26 17:44:58 by hakuna
[Vasp&Me ] 【求助】sigma的影响 (2/892) wanglei200 2010-12-23 2010-12-24 20:21:10 by goldenfisher
[Vasp&Me ] 【其他】第一性原理计算中常用的能量分析讨论 (1/319) gaottgougou 2010-12-24 2010-12-24 15:17:37 by gaottgougou
[Vasp&Me ] 【求助】那个虫友能给我发一个libgoto_p4_512-r0.94.so呢? (4/440) enola 2010-12-18 2010-12-24 09:00:25 by enola
[Vasp&Me ] 【求助】求用vasp做表面过渡态的课题组 (2/362) piaoxue001 2010-12-21 2010-12-22 08:26:36 by cash_ms
[Vasp&Me ] 【求助】vasp静自洽计算中断如何继续 (10/2751) bananawuzhu 2010-12-19 2010-12-21 19:57:26 by bananawuzhu
[Vasp&Me ] 【求助】请问VASP计算完之后该如何画波函数 (2/1081) repent03 2010-12-21 2010-12-21 16:57:12 by study163
[Vasp&Me ] 【求助】VASP能否算vibrational frequency?    ( 1 2 ) (14/2308) first_yg 2010-12-17 2010-12-21 10:21:57 by dxcharlary
[Vasp&Me ] 【求助】怎么建立POTCAR,vasp中找不到赝势文件 (4/4802) liqian16 2010-12-06 2010-12-21 09:29:39 by sxjsn1
[Vasp&Me ] 【求助】如何加U (6/954) zhouhua0227 2010-12-20 2010-12-20 22:11:52 by zhouhua0227
[Vasp&Me ] 【求助】这是什么错误啊 (1/262) wanglei200 2010-12-17 2010-12-20 19:22:12 by hakuna
[Vasp&Me ] 【求助】vasp5.2为什么连接网线才能运行 (5/1157) yxcai 2010-12-16 2010-12-18 05:42:53 by frank178
[Vasp&Me ] 【求助】vasp计算能带时的Kpoints (2/561) songdewang 2010-12-17 2010-12-17 23:25:06 by zhang_jaj
[Vasp&Me ] 【求助】对INCAR参数的一个疑点 (4/536) 75150618 2010-12-17 2010-12-17 13:50:22 by zhang_jaj
[Vasp&Me ] 【求助】请教IOPT的选择 (4/3610) lgxyz 2010-12-16 2010-12-17 10:56:24 by fanchen021
[Vasp&Me ] 【讨论】拉普拉斯电荷分布(laplacian of the electron density) (评阅+1) (3/1275) first_yg 2010-12-09 2010-12-16 11:47:16 by first_yg
[Vasp&Me ] 【求助】DOS计算中,设置ISMEAR=-5为什么还要用SIGMA? (4/2064) Prettyswan 2010-12-15 2010-12-15 21:40:46 by bingmou
[Vasp&Me ] 【求助】VASP能算团簇吗 (12/2157) qkzh3091 2010-11-30 2010-12-15 21:24:31 by dxcharlary
[Vasp&Me ] 【求助】占据态与非占据态 (7/6485) luolijin 2010-10-26 2010-12-15 10:02:33 by guolianshun
[Vasp&Me ] 【求助】vasp做过渡态 (2/452) Me卓 2010-12-14 2010-12-15 09:22:23 by Me卓
[Vasp&Me ] 【求助】关于VASP里面加自旋轨道耦合计算 (2/1506) xb1223 2010-12-14 2010-12-14 17:27:40 by sxjsn1
[Vasp&Me ] 【求助】vasp算出的小分子dos图和文献比有很大不同 (1/695) peng.029 2010-12-13 2010-12-13 22:34:41 by bingmou
[Vasp&Me ] 【求助】NaCl结构的ReC合成条件 (1/186) 06022043 2010-12-13 2010-12-13 16:08:06 by zyg3395
[Vasp&Me ] 【求助成功】NPAR (3/1584) wanglei200 2010-12-13 2010-12-13 16:06:22 by wanglei200
[Vasp&Me ] 【求助】请教vasp如何做寻找过渡态的频率验证 (1/1004) lightwlj 2010-12-12 2010-12-12 21:43:50 by fanchen021
[Vasp&Me ] 【求助】关于VASP编译时候的选项 (1/267) zsjan 2010-12-06 2010-12-12 08:43:25 by spatial
[Vasp&Me ] 【求助】dos计算出错 (2/590) songdewang 2010-12-10 2010-12-11 16:40:15 by chimegreen
[Vasp&Me ] 【求助】test out (1/340) 4010808 2010-12-11 2010-12-11 13:56:58 by heshiqing168
[Vasp&Me ] 【求助】VASP怎么做晶格参数的结构优化 (17/4335) bluegirlll 2010-12-07 2010-12-10 21:52:34 by zhang_jaj
[Vasp&Me ] 【求助】lev00 (4/713) 4010808 2010-12-06 2010-12-10 19:57:08 by 4010808
[Vasp&Me ] 【求助】origin (9/1374) 4010808 2010-12-09 2010-12-10 11:41:07 by songdewang
[Vasp&Me ] 【求助】关于IBZKPT (5/2243) wanglei200 2010-12-01 2010-12-10 11:18:06 by leo肖
[Vasp&Me ] 【求助】如何画VASP的计算结果的HOMO轨道? (9/1403) huijiany 2010-11-16 2010-12-10 08:23:04 by hakuna
[Vasp&Me ] 【求助】我的原子链优化后变成分子团了 (8/1040) sxjsn1 2010-12-08 2010-12-09 22:06:16 by sxjsn1
[Vasp&Me ] 【求助】vasp计算磁矩 (3/2071) 小木虫于 2010-12-05 2010-12-09 20:56:11 by 漂浮的萸
[Vasp&Me ] 【求助】vasp energy (3/532) lgxyz 2010-12-09 2010-12-09 19:32:41 by bingmou
[Vasp&Me ] 【求助】WARNING: PSMAXN for non-local potential too small (2/10728) Prettyswan 2010-12-07 2010-12-09 13:17:34 by Prettyswan
[Vasp&Me ] 【求助】文件逐行读取如何操作 (1/261) 江山2010 2010-12-08 2010-12-09 11:20:52 by fanchen021
[Vasp&Me ] 【求助】vasp并行出错 (5/961) SPRII 2010-12-08 2010-12-09 10:33:55 by zzy870720z
[Vasp&Me ] 【求助】warning (7/1305) wanglei200 2010-12-07 2010-12-08 22:05:15 by wanglei200
[Vasp&Me ] 【求助成功】如何合并POTCAR文件 (8/6158) fengshiquan 2010-12-08 2010-12-08 17:51:32 by fengshiquan
[Vasp&Me ] 【求助】关于vasp的问题 (4/648) nww346 2010-11-21 2010-12-08 11:06:56 by nww346
[Vasp&Me ] 【求助】多原子体系的态密度怎么画图 (4/952) ustbwgs 2010-12-05 2010-12-08 10:44:02 by ustbwgs
[Vasp&Me ] 【求助完毕】VASP结构优化时离子步原子是如何移动的? (6/1882) cenwanglai 2010-12-03 2010-12-07 20:51:59 by gavinliu7390
[Vasp&Me ] 【求助】虫友们对ISIF取值有什么高见呢 (10/1694) ustbwgs 2010-12-07 2010-12-07 20:46:09 by gavinliu7390
[Vasp&Me ] 【求助】vasp能进行全电子计算么 (4/867) 小木虫于 2010-12-07 2010-12-07 17:02:22 by 小木虫于
[Vasp&Me ] 【求助】如何提高下列vasp脚本的运行效率 (2/652) erghper 2010-12-07 2010-12-07 15:11:24 by erghper
[Vasp&Me ] 【求助】请教VASP跑DFT+U计算的几个问题 (0/796) zcntydyd 2010-12-06 2010-12-06 23:58:23 by zcntydyd
[Vasp&Me ] 【求助】LORBIT=12时输出的PROCAR是什么意思啊? (1/1510) liuhuimeiwoo 2010-12-05 2010-12-06 18:46:43 by liuhuimeiwoo
[Vasp&Me ] 【求助】谁能 给 个 vasp 5.2或者较新版本 的 下载地址链接 (6/731) btvipvip 2010-12-05 2010-12-06 11:24:10 by skyscorpioa
[Vasp&Me ] 【求助】slab模型真空层厚度的选取 (1/1308) songdewang 2010-12-06 2010-12-06 10:29:22 by sunyang1988
[Vasp&Me ] 【求助】VASP,POTCAR中 RCORE的单位,埃还是波尔? (1/1275) heshun 2010-12-06 2010-12-06 10:24:35 by fzx2008
[Vasp&Me ] 【求助】vasp可以算cluster吗? (8/832) lgxyz 2010-09-02 2010-12-06 09:25:51 by qkzh3091
[Vasp&Me ] 【求助】自旋极化计算,一种自旋对磁矩的贡献 (0/883) 小木虫于 2010-12-06 2010-12-06 08:51:26 by 小木虫于
[Vasp&Me ] 【求助】only gamma version 与仅一个k点一样么 (2/364) 小木虫于 2010-12-05 2010-12-06 08:28:15 by 小木虫于
[Vasp&Me ] 【求助】如何在vasp中指定某个元素的价态 (6/2308) 灯塔守望者 2010-12-05 2010-12-06 04:08:00 by jghe
[Vasp&Me ] 【求助】求个VENUS (1/284) wanghui381 2010-12-03 2010-12-05 23:02:05 by wanghui381
[Vasp&Me ] 【求助】DOSCAR态密度里面的数据如何分离 (5/1311) ustbwgs 2010-12-05 2010-12-05 20:55:42 by stractor
[Vasp&Me ] 【求助】Vasp&MedeA软件4.6或以上版本    ( 1 2 ) (13/2560) smile8932 2010-01-06 2010-12-05 19:08:12 by 灯塔守望者
[Vasp&Me ] 【分享】计算与模拟研究 (评阅+5) (5/828) 江山2010 2010-11-25 2010-12-05 13:21:40 by Jldbaobei
[Vasp&Me ] 【求助】菜鸟求教:解答procar问题! (3/564) liuhuimeiwoo 2010-12-02 2010-12-05 11:07:21 by liuhuimeiwoo
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