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[热点] 国家基金申请书模板内插入图片不可调整大小? kingkocxr 2026-02-02 刚刚
[Vasp&Me ] [已完结]关于void的问题 (0/95) w7amxbm4 2012-10-30 2012-10-30 09:33:07 by w7amxbm4
[Vasp&Me ] 【求助成功】VASP5.2 编译出现这样的warning,对编译出来的vasp有影响吗? (5/1492) tsh8167 2010-10-21 2012-10-29 17:55:51 by ufo991
[Vasp&Me ] [已完结]vasp安装了 关于怎么用……求指导    ( 1 2 ) (12/1394) lzlgcdc 2012-10-26 2012-10-28 23:28:12 by lzlgcdc
[Vasp&Me ] [已完结]steep.o问题请教各位大神 (2/886) saltfishw 2012-10-28 2012-10-28 15:37:20 by ice_rain
[Vasp&Me ] [已完结]【VASP】 奇怪结果求助 (7/1113) colinchen2 2012-10-27 2012-10-27 15:39:22 by colinchen2
[Vasp&Me ] 【求助成功】murn.f用ifort编译完运行时不能正确执行 (2/1142) xiaoxiao6726 2011-04-01 2012-10-27 15:27:41 by bill686433
[Vasp&Me ] [已完结]相结合vasp做一点热力学计算,推荐一下软件。 (0/824) 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 (3/1140) 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 (2/2191) xiaoboy185 2012-10-23 2012-10-27 12:09:01 by stractor
[Vasp&Me ] 基态计算怎么用于常温态 (4/1123) 又见_炊烟 2012-10-24 2012-10-27 08:47:15 by Lathander
[Vasp&Me ] [已完结]弹性常数的困惑 (7/802) 赵--- 2012-10-23 2012-10-26 21:25:17 by zyren123
[Vasp&Me ] [已完结]fropho 中的命令mode2anime.rb应该怎么使用 (2/197) fanarsenal 2012-09-10 2012-10-26 17:48:12 by fanarsenal
[Vasp&Me ] [已完结]怎么用denshkl这个软件截取平面啊? (2/277) chenxin1992 2012-10-25 2012-10-26 15:44:04 by chenxin1992
[Vasp&Me ] [已完结]用phonopy计算声子谱的问题    ( 1 2 ) (16/3726) hhshimin 2011-06-21 2012-10-26 08:14:16 by liancsh
[Vasp&Me ] 【求助】vasp体系过大“优化”难以收剑 (7/1506) ustbwgs 2010-11-13 2012-10-25 17:18:41 by hs0218
[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 ) (10/2071) gleerat 2012-10-17 2012-10-25 16:09:15 by gleerat
[Vasp&Me ] [已完结]优化甲烷的输入文件不知道对不对? (0/285) kobe6777 2012-10-25 2012-10-25 10:11:41 by kobe6777
[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 (2/677) xiaoboy185 2012-10-24 2012-10-25 07:51:55 by Lathander
[Vasp&Me ] vasp错误 (0/294) fjfuzhou 2012-10-24 2012-10-24 19:29:00 by fjfuzhou
[Vasp&Me ] [已完结]VASP新手求问 单机装VASP (1/407) wkfan8988 2012-10-24 2012-10-24 10:29:26 by liliangfang
[Vasp&Me ] [已完结]VASP计算KPOINTS的错误 (2/658) liwenjing123 2012-10-23 2012-10-23 20:30:14 by fyuewen
[Vasp&Me ] [已完结]关于锂电池中的氧化还原电对 (2/809) xiaoboy185 2012-10-23 2012-10-23 17:03:34 by xiaoboy185
[Vasp&Me ] [已完结]掺杂元素的U值如何确定? (5/1423) lascqy 2012-10-19 2012-10-23 12:33:38 by Lathander
[Vasp&Me ] [已完结]要建一个Ni表面结构,求高人指点!感谢万分! (0/173) 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? (1/650) chenxin1992 2012-10-21 2012-10-22 20:48:53 by chenxin1992
[Vasp&Me ] 【求助】思考:关于截断能    ( 1 2 ) (11/3642) qiqi2926 2010-07-24 2012-10-22 14:48:27 by leozpj
[Vasp&Me ] [已完结]vasp能带结构的计算 (0/443) stclaireva1 2012-10-22 2012-10-22 08:43:05 by stclaireva1
[Vasp&Me ] 【求助】VASP进行DFT+HF计算的问题? (7/2200) mxiangying 2010-05-14 2012-10-22 08:20:28 by yylhoodma
[Vasp&Me ] [已完结]make libia32 compiler=gnu 时出现问题 fftw3xf make时的问题 (5/444) lzlgcdc 2012-10-18 2012-10-20 13:46:07 by lzlgcdc
[Vasp&Me ] vasp计算,charge convergence 是怎么一回事? (8/1708) ljzhou86 2012-04-10 2012-10-20 12:40:44 by Lathander
[Vasp&Me ] [已完结]vasp 分析团簇结构的态密度 (0/735) 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 (7/2732) 星愿9997 2012-10-17 2012-10-19 17:49:43 by 06022043
[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
[Vasp&Me ] 【讨论】刚学VASP,静态自洽和非自洽?谁能解释下?    ( 1 2 ) (13/3034) calos818 2009-10-22 2012-10-18 20:39:53 by aibude163
[Vasp&Me ] [已完结]如何用CrystalMaker画晶体图 (1/1554) chengliping 2012-10-17 2012-10-18 11:10:52 by 416726641
[Vasp&Me ] [已完结]OpenDX的使用...... (4/1614) 冷小漠 2012-10-17 2012-10-18 09:33:14 by 冷小漠
[Vasp&Me ] [已完结]Ni/graphene体系,磁性计算INCAR如何设置 (3/1546) 梦里花 2012-10-15 2012-10-17 21:16:29 by 梦里花
[Vasp&Me ] [已完结]VASP怎么计算掺杂呀,快来看看吧~ (0/1806) chenhui1873 2012-10-17 2012-10-17 15:52:09 by chenhui1873
[Vasp&Me ] 【原创】关于结构优化的总结,体会 (33/8438) bnliu 2011-01-04 2012-10-17 12:35:51 by losenq
[Vasp&Me ] 【求助】vasp算不了吗    ( 1 2 3 ) (23/2551) kgdu 2010-05-12 2012-10-17 07:01:21 by hs0218
[Vasp&Me ] 我非自洽算出来的电荷密度很诡异啊 (4/583) chenxin1992 2012-10-13 2012-10-16 14:53:18 by 043114076
[Vasp&Me ] [已完结]真心不懂 求帮助 (9/1113) lzlgcdc 2012-10-14 2012-10-16 12:14:06 by lzlgcdc
[Vasp&Me ] 【求助】异质结形成不类的原因 (5/1605) liqun1314 2011-04-01 2012-10-16 11:51:42 by yulin_ccpp
[Vasp&Me ] vasp 走得很慢 帮忙看看INCAR (4/739) vasp-newer 2012-10-15 2012-10-16 10:08:24 by mengfc
[Vasp&Me ] [已完结]vasp如何计算磁性? (0/724) 真情无价108 2012-10-15 2012-10-15 23:34:55 by 真情无价108
[Vasp&Me ] [已完结]做能带计算eigenval没有需要的内容 (2/741) hutudiangong 2012-10-14 2012-10-15 21:11:25 by hutudiangong
[Vasp&Me ] [已完结]lev00安装 (3/553) zuocuiping 2012-10-13 2012-10-15 19:49:03 by daxiongmao6
[Vasp&Me ] [已完结]关于fcc高对称点的坐标 (0/1337) 乌洛托品 2012-10-15 2012-10-15 17:24:15 by 乌洛托品
[Vasp&Me ] [已完结]请教“LVTOT”和“LVHAR”的区别 (7/6525) byin 2012-10-15 2012-10-15 16:10:31 by byin
[Vasp&Me ] [已完结]能带及态密度问题求助! (0/320) xiongb123456 2012-10-15 2012-10-15 10:06:25 by xiongb123456
[Vasp&Me ] [已完结]如何获得K点? (1/1114) xiongb123456 2012-10-14 2012-10-15 09:42:19 by wangziyan3
[Vasp&Me ] 【求助】关于金属和绝缘体K点的设置 (5/1183) sunyang1988 2010-06-29 2012-10-15 08:23:42 by zhangqiankl
[Vasp&Me ] [已完结]一定压力下如何计算弹性常数的问题,请各位高手同志们帮忙解决!谢谢你们啦! (5/1521) 奋力拼搏 2012-10-12 2012-10-14 20:36:53 by losenq
[Vasp&Me ] [已完结]用侯博士计算弹性常数的方法,计算NITI B2相的C11和C12出现了问题。求助高手! (6/2203) losenq 2012-09-07 2012-10-14 20:15:15 by losenq
[Vasp&Me ] [已完结]价带顶之上的电子数 (0/572) hy1987007 2012-10-14 2012-10-14 19:17:47 by hy1987007
[Vasp&Me ] [已完结]求助:关于vasp模拟STM后得到的PARCHG的处理以及lev00的安装使用 (1/1782) 冷小漠 2012-10-13 2012-10-13 16:30:56 by 冷小漠
[Vasp&Me ] [已完结]lev00 vasp (1/270) fjfuzhou 2012-10-11 2012-10-13 14:05:35 by fjfuzhou
[Vasp&Me ] [已完结]安装vasp时选择makefile问题 (2/312) lzlgcdc 2012-10-12 2012-10-13 11:56:49 by lzlgcdc
[Vasp&Me ] [已完结]电子密度图 标原子    ( 1 2 ) (17/2849) chengliping 2012-03-22 2012-10-12 15:39:10 by fjfuzhou
[Vasp&Me ] HSE能带不平滑 (评阅+2) (1/839) lascqy 2012-03-14 2012-10-12 13:11:41 by qzz502
[Vasp&Me ] [已完结]差分电荷密度图怎么画啊? (评阅-5) (4/1841) chenxin1992 2012-10-11 2012-10-12 12:50:04 by chenxin1992
[Vasp&Me ] [已完结]Vasp应用求助 (0/194) fengshiquan 2012-10-11 2012-10-11 09:39:14 by fengshiquan
[Vasp&Me ] [已完结]用phonopy计算声子谱已得到FORCE_SETS,之后我怎么得到声子谱? (7/2542) yayanoba 2012-06-26 2012-10-11 07:29:49 by yayanoba
[Vasp&Me ] [已完结]如何写vasp里的incar文件? (2/2804) kobe6777 2012-10-10 2012-10-10 09:36:58 by shuxuewuliya
[Vasp&Me ] 我在重复别人的工作,但计算结果跟文献上怎么也对不上 (8/1652) chenxin1992 2012-10-04 2012-10-09 19:46:07 by chenxin1992
[Vasp&Me ] vasp 几何优化在先?参数优化在先? (17/1306) zuocuiping 2012-10-06 2012-10-09 15:06:54 by hzj12399
[Vasp&Me ] [已完结]VASP计算输出文件里面哪里可以看到band gap啊? (4/3527) 乌洛托品 2012-10-08 2012-10-09 09:51:03 by 魔鬼中的天使
[Vasp&Me ] [已完结]VASP编译不成功 (1/608) enrity 2012-10-08 2012-10-08 16:05:23 by enrity
[Vasp&Me ] [已完结]优化结果根本达不到ediffg=-0.02的设置精度 (1/804) yuapple 2012-10-08 2012-10-08 15:01:30 by cenwanglai
[Vasp&Me ] [已完结][关贴]截断能测试计算 (8/2335) cenwanglai 2012-10-05 2012-10-07 15:58:22 by cenwanglai
[Vasp&Me ] [已完结]怎么分辨频率是IR的还是Raman的? (1ST强帖+1)(9/2345) lufly89 2011-11-28 2012-10-07 13:24:09 by hakuna
[Vasp&Me ] [已完结]求助:VASP 总态密度可以由两个自旋DOS绝对值相加不?    ( 1 2 ) (10/2165) fangyongxinxi 2012-06-05 2012-10-06 05:22:41 by to_Landau
[Vasp&Me ] [已完结]vasp做md计算 (1/1353) liu108 2012-09-19 2012-10-05 12:29:32 by chinamanner1
[Vasp&Me ] [已完结]带电缺陷的相关问题 (4/1344) wydzyx2003 2012-09-28 2012-10-05 08:44:48 by enola
[Vasp&Me ] [已完结]VASP购买问题 (1/485) zeroentropy 2012-10-02 2012-10-05 07:37:52 by bluewhale
[Vasp&Me ] [已完结]vasp 过渡态计算 线性插值方法。 (8/3287) fangyongxinxi 2011-05-28 2012-10-04 07:42:00 by xx4751
[Vasp&Me ] [已完结]能带小问题求助 (1/310) yxz476440843 2012-09-27 2012-10-03 21:19:21 by maliangcai
[Vasp&Me ] [专家] [已完结]现在vasp能算一些静态的电学性质吗?    ( 1 2 ) (15/1926) dxcharlary 2012-01-07 2012-10-02 12:41:05 by future_wl
[Vasp&Me ] [已完结]py,pz,px,dxy,dyz,dz2,dxz,dx2 (7/2347) fjfuzhou 2012-09-29 2012-10-01 21:03:15 by 魔鬼中的天使
[Vasp&Me ] [已完结]怎样把CONTCAR拷贝成下一次计算的POTCAR文件再进行计算 (6/1572) zxgxbh2008 2011-07-13 2012-10-01 13:14:30 by wanglikun08
[Vasp&Me ] [已完结]运行vasp cpu效率低 (2/1123) niuxiaoqi721 2012-09-30 2012-10-01 08:11:23 by niuxiaoqi721
[Vasp&Me ] 电荷密度图分析 (5/866) fjfuzhou 2012-09-28 2012-09-29 17:24:02 by 416726641
[Vasp&Me ] [已完结]CL_NEB方法搜索过渡态 怎么准确获得saddle-point 的几何及相应的振动频率? (5/1880) liupeitao20 2012-09-24 2012-09-29 08:57:59 by zhangfan2192
[Vasp&Me ] [已完结]DOS问题 (2/383) aibude163 2012-09-27 2012-09-28 23:47:29 by uuv2010
[Vasp&Me ] [已完结]态密度问题求助 (1/577) yxz476440843 2012-08-27 2012-09-27 22:29:13 by yxz476440843
[Vasp&Me ] hole carrier densities (2/286) 轻轻飘过之 2012-09-27 2012-09-27 16:34:35 by 轻轻飘过之
[Vasp&Me ] 请教大家一个关于压力、温度模拟的问题 (4/1299) future_wl 2012-09-25 2012-09-27 15:20:22 by ChemiAndy
[Vasp&Me ] [已完结]ZnO块体优化时考虑自旋,但是结果出错信息奇怪,请各位看一下是咋回事?贴出了INCAR (5/674) qzz502 2012-09-25 2012-09-27 10:07:10 by qzz502
[Vasp&Me ] [已完结]如何用VASP计算CoO的生成焓还有晶体结构,谢谢! (2/1632) may-sucess 2012-09-25 2012-09-26 18:31:07 by casjxm
[Vasp&Me ] [已完结]请问 vasp 势能 算法 (0/336) nodding 2012-09-26 2012-09-26 17:44:51 by nodding
[Vasp&Me ] [已完结]partial band有什么含义 (0/205) lyylyy1 2012-09-26 2012-09-26 15:16:17 by lyylyy1
[Vasp&Me ] [已完结]紧急求助vasp5.2怎样计算3阶光学极化率? (0/253) 学员2eZz12 2012-09-26 2012-09-26 10:20:10 by yzzzwei
[Vasp&Me ] [已完结]请问vasp怎样就算安装完成 (2/713) lzlgcdc 2012-09-12 2012-09-26 09:33:59 by lzlgcdc
[Vasp&Me ] [已完结]计算YTiO3的能带图,顶上有很大的震荡?why? (1/378) yayanoba 2012-09-25 2012-09-25 22:32:11 by mousekingadv
[Vasp&Me ] [已完结][关贴]金属氧化物簇是否需要加氢饱和边界?    ( 1 2 ) (10/2150) cenwanglai 2012-08-17 2012-09-25 15:41:44 by farfaraway08
[Vasp&Me ] VASP可以控制元素化合价么 (10/1580) 极速小木虫 2012-04-21 2012-09-25 15:21:31 by huangll99
[Vasp&Me ] [已完结]如何在vasp中设定离子的价态    ( 1 2 ) (18/5576) gougou531 2011-10-19 2012-09-25 13:17:47 by cr147369
[Vasp&Me ] [已完结]MedeA问题 (7/433) aibude163 2012-09-22 2012-09-25 12:05:33 by aibude163
[Vasp&Me ] Lev00在vasp5的安装与使用 (4/1367) wangzg9292 2012-04-21 2012-09-25 06:13:07 by fjfuzhou
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