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[热点] 售SCI一区T0P文章,我:8.O.5.5.1.O.5.4,科目齐全,可+急 oko5baaf5j 2026-06-10 刚刚
[Vasp&Me ] 【讨论】我错了.总能和本征值都小于EDIFF一个离子步才结束. (0/314) cenwanglai 2010-05-19 2010-05-19 08:57:40 by cenwanglai
[Siesta& ] 【求助】siesta加spin的问题 (2/600) yb2006 2010-05-19 2010-05-19 08:23:15 by zhangguangping
[Vasp&Me ] 【求助】请教一个问题,如何建立超晶包2*2sqrt(3)*sqrt(3),也就是非整数的,谢谢 (5/1460) laoda79 2010-05-18 2010-05-19 00:58:20 by acridine
[Abinit] 【求助】请教Abinit 中关于Fortran编译器 (2/564) xumc2000 2010-05-18 2010-05-18 23:43:45 by xumc2000
[MS] 【求助】谁能帮我解决这个问题 (0/194) btvipvip 2010-05-18 2010-05-18 22:02:36 by btvipvip
[MS] 【分享】MS5.0.1-Windows版补丁,无金币限制。 (评阅+3) (1/478) dlyao 2010-05-18 2010-05-18 21:56:35 by jwucn
[MS] 【求助】请教怎么计算极化强度? (3/2391) hbdxmajk 2010-04-21 2010-05-18 19:23:44 by dhc198611
[MS] 【求助】dmol3中max.displacement不收敛 (1/2343) sqheyu 2010-05-18 2010-05-18 16:04:43 by sqheyu
[MS] 【求助】outmol文件可以得到些什么信息 (1/1019) shengfengyu 2010-05-13 2010-05-18 16:01:36 by shengfengyu
[MS] 【求助】请问锆钛二元合金的晶体结构 (2/563) bb20052006 2010-05-18 2010-05-18 15:47:11 by bb20052006
[QE(Pwsc ] 【求助】能带振荡 (4/732) 子虚乌有5388 2010-05-17 2010-05-18 15:18:19 by xirainbow
[MS] 【求助】有关MS中模拟混合物的模块(Blends)的例题 (0/974) tang327 2010-05-18 2010-05-18 15:16:35 by tang327
[MS] [关贴]【求助】MS计算相变不知道投什么期刊合适,请高人指点! (2/496) qx08131989 2010-05-17 2010-05-18 13:14:26 by wyl04
[MS] 【求助】MS4.3/4.4多核处理器并行运算的问题    ( 1 2 3 ) (24/3729) encke 2009-05-30 2010-05-18 12:37:55 by encke
[MS] 【求助】求王坤鹏和刘长松有关缺陷对kdp光学性能影响的论文 (1/367) luoyutian 2010-04-22 2010-05-18 12:22:34 by luoyutian
[MS] 【求助】戴尔 系统 ms报错 (3/398) 574384607 2010-05-17 2010-05-18 12:07:01 by zzy870720z
[Vasp&Me ] 【求助】vasp (4/1026) yueya9113 2010-05-18 2010-05-18 11:08:18 by yueya9113
[MS] 【求助】请问这里的div的意义,怎么更改?    ( 1 2 ) (14/1287) wuli8 2010-05-17 2010-05-18 10:03:42 by zzy870720z
[Vasp&Me ] 【求助】Cu-Cu相互作用的范围是多少,上文献 (4/732) 405963512 2010-05-17 2010-05-17 22:20:50 by valenhou001
[QE(Pwsc ] 【求助】如何联系材料的微观属性与宏观属性? (5/971) byin 2010-05-07 2010-05-17 22:20:29 by goldenfisher
[QE(Pwsc ] 【求助】磁滞回线 (2/916) byin 2010-05-17 2010-05-17 22:19:13 by goldenfisher
[Vasp&Me ] 【求助】如何计算电荷转移的具体数值 (2/580) mermaid1128 2010-05-17 2010-05-17 21:12:10 by vasp001
[MS] 【求助】关于MS结构问题 (3/683) 随心意 2010-05-17 2010-05-17 20:55:36 by franch
[MS] 【求助】没有4f电子层的元素掺杂是否要加U值?(请赐教) (6/1124) yankai131 2010-05-16 2010-05-17 20:48:26 by luxia0210
[MS] 【求助】不太明白Hubbard U与U、J的意义,J值如何算,麻烦高人指点下! (4/2457) yankai131 2010-05-17 2010-05-17 20:45:29 by luxia0210
[MS] 【求助】blend模块求助 (0/322) binkwei 2010-05-17 2010-05-17 19:48:26 by binkwei
[MS] 【求助】MS 中在2*2*2的超胞掺一个Y或La,属性计算出现问题....(急人) (6/816) yankai131 2010-05-16 2010-05-17 19:12:01 by yankai131
[MS] 【求助】高分子链能量最小化问题    ( 1 2 ) (10/1204) lifenliu 2010-05-10 2010-05-17 17:03:51 by zzy870720z
[MS] 【求助】关于带隙和带反键的问题!!!!    ( 1 2 ) (14/2094) yangkunspace 2010-04-28 2010-05-17 16:56:01 by yangkunspace
[MS] 【求助】MS软件卸载 (9/1390) fyz_ok 2010-05-15 2010-05-17 16:52:22 by 天棚元帅
[Vasp&Me ] 【求助】有没有人见过这么奇怪的态密度 (7/1944) zhang668 2010-05-15 2010-05-17 14:48:25 by zhang668
[其他] 【求助】这些软件可以计算试剂在不同温度下的密度吗 (0/180) dreamboat 2010-05-17 2010-05-17 13:49:04 by dreamboat
[MS] castep磁性计算能算反铁磁吗? (4/1806) zhenfeili 2010-05-15 2010-05-17 13:31:58 by jphuang_63
[Vasp&Me ] 【求助】优化K点,能量出现震荡 (8/1673) txf8378 2010-05-11 2010-05-17 13:29:26 by valenhou001
[MS] 【求助】怎么建立六方硫化锌纳米管 (5/1061) guoguo3138 2010-05-12 2010-05-17 11:34:57 by zzy870720z
[MS] 【求助】HOMO,LUMO轨道分析 (0/1676) soaring1651 2010-05-17 2010-05-17 09:35:42 by soaring1651
[MS] 【求助】声子谱 (6/1643) newton3915 2010-05-11 2010-05-17 08:11:52 by 511343235
[MS] 【求助】单斜B1a1空间群对应于MS中哪一个序号? (1/488) yq2240711 2010-05-16 2010-05-17 00:54:35 by souledge
[Vasp&Me ] 【求助】vasp算红外光谱的可行性? (1/883) zhanping 2010-05-16 2010-05-17 00:15:47 by ferretl
[MS] 【求助】请问用Material Studio如何计算有机物在溶液中的溶解度? (4/1794) riodiego 2010-05-16 2010-05-16 23:48:40 by cel0303
[MS] 【求助】如何建立MWW的分子筛模型以进行高斯计算? (1/510) 学员paSMd8 2010-05-14 2010-05-16 18:16:06 by zyj8119
[其他] 【求助】请问大家cohensive energy density值有何意义 (4/546) xjw040 2010-05-14 2010-05-16 16:17:38 by xjw040
[Abinit] 【求助】Plugins problem when running "make" (4/990) huangye2001 2010-05-15 2010-05-16 14:46:29 by valenhou001
[MS] 【求助】HOMO 和LUMO统计时有可能的错误之处。 (1/379) zsl_321123 2010-05-16 2010-05-16 14:34:38 by ddang100
[MS] 【求助】石墨烯条带结构的仿真 (3/1507) 回雁衡阳 2010-05-13 2010-05-16 14:32:12 by valenhou001
[Vasp&Me ] 【求助】什么是internal structural parameter u? (3/913) keitapsp 2010-05-16 2010-05-16 13:45:15 by keitapsp
[Vasp&Me ] 【原创】关于寻找transition state的问题 (评阅+2) (4/815) persei 2010-05-14 2010-05-16 11:17:40 by persei
[MS] 【求助】没模拟完 接着进行模拟 问题 (1/229) 574384607 2010-05-16 2010-05-16 10:25:24 by qasd
[MS] 【求助】ac 周期性水盒子 溢出 (2/302) 574384607 2010-05-12 2010-05-16 10:24:56 by qasd
[Vasp&Me ] 【求助】vasp结果的处理 (4/679) qnsyhanjiu 2010-05-14 2010-05-16 10:11:40 by valenhou001
[MS] 【求助】根据能带结构计算电子有效质量 (4/2200) Lucky2681 2010-05-13 2010-05-16 10:03:47 by valenhou001
[Abinit] 【求助】是不是什么计算都得进行收敛测试? (8/2428) liuhuan2017 2009-11-16 2010-05-16 09:46:11 by valenhou001
[MS] 【求助】计算的时间 (6/1158) newton3915 2010-05-15 2010-05-16 09:02:49 by newton3915
[Siesta& ] 【求助】偏压,门电压,栅压 (3/1881) kaypu 2010-05-12 2010-05-16 08:44:30 by valenhou001
[QE(Pwsc ] 【求助】Pwscf现在可以算哪些力学性质? (3/862) ydeng2639 2010-05-15 2010-05-16 08:40:45 by valenhou001
[MS] 【求助】materials studio 里面, Co用(hkl)坐标观测很不方便, 能转换成(hkml)来看嘛? (0/158) oskarmask 2010-05-13 2010-05-15 22:31:55 by oskarmask
[其他] [关贴]【求助】求助crystal09软件包 (9/2005) ice_rain 2010-05-10 2010-05-15 22:30:11 by 天空空
[Siesta& ] [关贴]【求助】如何用两种颜色画LDOS图(颜色表示自旋方向,圈圈大小表示LDOS的大小 (0/419) 163.com 2010-05-15 2010-05-15 18:17:05 by 163.com
[Siesta& ] [关贴]【求助】如何用两种颜色画LDOS图(颜色表示自旋方向,圈圈大小表示LDOS的大小 (0/523) 163.com 2010-05-15 2010-05-15 18:16:35 by 163.com
[Wien2k& ] 【求助】如何确定参杂杂质的价态? (3/747) defeat 2010-05-15 2010-05-15 17:49:49 by cbFeng200881
[Vasp&Me ] 【求助】split_dos    ( 1 2 ) (11/1888) zhang668 2010-05-14 2010-05-15 17:45:13 by fanchen021
[其他] 【求助】请教dmol3计算设置问题 (2/383) 278036903 2010-05-13 2010-05-15 15:00:01 by 278036903
[MS] 【求助】各位看看这个,是不是机器容量不够? (5/562) zhenfeili 2010-05-15 2010-05-15 12:45:33 by zhenfeili
[Vasp&Me ] 【求助成功】VASP的GGA赝势,有的发下. (4/748) rdw00 2010-05-14 2010-05-15 12:12:31 by rdw00
[其他] 【求助】化学键问题 (2/454) 06022065 2010-05-15 2010-05-15 09:26:57 by wuli8
[MS] 【求助】关于苯分子的大π键 (9/2893) qgqgrm 2010-05-14 2010-05-15 06:40:08 by qgqgrm
[Abinit] 【求助】请教关于Abinit的问题 (2/395) xumc2000 2010-05-15 2010-05-15 04:06:38 by xumc2000
[MS] 【求助】如何建立MWW的分子筛模型以进行高斯计算? (2/993) 学员paSMd8 2010-05-13 2010-05-14 23:54:10 by sunyun-06
[其他] 【其他】程序软件版活动“你帮我助,共同提高”,欢迎大家参与    ( 1 2 ) (评阅+7) (17/1290) wangen994 2010-04-01 2010-05-14 23:28:41 by guifan
[MS] 【求助】不同碳含量影响含铌钢中碳化铌固溶、析出问题 (1/509) yangguxy 2010-05-14 2010-05-14 22:09:12 by yangguxy
[Vasp&Me ] 【求助】p4vasp出现的问题 哪位大侠帮忙解决 (5/2020) zhangkun7581 2009-05-19 2010-05-14 16:40:22 by zhang668
[QE(Pwsc ] 【分享】赝势文件格式 (评阅+3) (1/1655) xirainbow 2010-05-14 2010-05-14 13:56:36 by lfhuang
[Vasp&Me ] 【求助】vasp能计算每个原子带的电荷吗? (2/549) bird007 2010-05-14 2010-05-14 13:36:05 by 子虚乌有5388
[Vasp&Me ] 【求助】关于VASP计算Fe的磁性出现错误    ( 1 2 ) (11/1462) aasan 2010-05-11 2010-05-14 12:23:30 by luxia0210
[MS] 【求助】castep 优化表面 (金币≥1)(4/70) lili0209 2010-05-13 2010-05-14 08:34:31 by zuozhijun5134
[MS] 【求助】吸附求助! (6/727) liang7035 2010-05-12 2010-05-14 08:32:28 by liang7035
[QE(Pwsc ] 【分享】Quantum ESPRESSO 4.2rc 发布 (7/1807) chrinide 2010-05-07 2010-05-13 22:49:32 by zzy870720z
[MS] 【求助】怎么看HOMO LUMO    ( 1 2 ) (11/2978) wanfei 2010-05-12 2010-05-13 21:41:20 by wanfei
[其他] 【求助】键态 (2/237) wangrenni 2010-05-11 2010-05-13 20:50:23 by wangrenni
[Vasp&Me ] 【求助】parameters of Sutton-Chen Potential 问题 (1/357) 学员z4kOrB 2010-05-11 2010-05-13 20:31:25 by meimeinn
[Siesta& ] 【求助】求助解决siesta计算关系性质出现的问题! (2/578) caqhero 2010-05-13 2010-05-13 20:24:28 by mayim2008
[MS] 【分享】MS4.4linux版,见有人寻,就发到上面了 (评阅+2) (8/934) cmyy1988 2010-01-05 2010-05-13 16:58:34 by sunshine7788
[Vasp&Me ] 【求助】不同的节点数计算的结果差很多 (6/1814) zhang668 2010-05-08 2010-05-13 16:43:50 by zhang668
[其他] 【其他】做graphene的注意了:国际学习班 (0/408) goldenfisher 2010-05-13 2010-05-13 16:38:42 by goldenfisher
[Vasp&Me ] 【求助】请教运行报错分析 (3/1444) wang-lf09 2010-05-13 2010-05-13 16:07:30 by nkleof
[MS] 【求助】hpmpi安装问题 (2/665) dzhijie 2010-04-21 2010-05-13 15:07:57 by carlaty
[MS] 【求助】请教CASTEP并行问题 (5/635) ljh-000 2010-05-09 2010-05-13 14:54:02 by souledge
[Siesta& ] 【求助】PDOS在Transiesta中是什么意思?【完结】    ( 1 2 ) (10/3232) zhangguangping 2010-04-05 2010-05-13 11:58:40 by zhangguangping
[MS] 【求助】Dmol运行出错    ( 1 2 ) (10/1040) shengfengyu 2010-05-11 2010-05-13 11:40:06 by shengfengyu
[Vasp&Me ] 【求助成功】exit status of rank 5: killed by signal 9 错误????    ( 1 2 ) (11/2605) calos818 2010-05-10 2010-05-13 10:17:09 by calos818
[MS] 【求助】电荷密度    ( 1 2 ) (14/2603) wwj_0905 2009-05-13 2010-05-13 09:22:01 by yss2790
[MS] 【求助】态密度单位转换 (3/2765) ethu 2010-05-02 2010-05-13 09:10:57 by yss2790
[Vasp&Me ] 【求助】ISTART ICHARGE 会影响能量的daxiao为什么--VASP (1/2141) ghh2004 2010-05-06 2010-05-13 09:00:04 by nkleof
[MS] 【求助】关于不同位置的k点设置的问题 (6/1363) ramble81 2010-05-11 2010-05-13 08:46:59 by yss2790
[MS] 【求助】按帮助例程做的,出现错误提示,是软件安装问题,还是设置问题 (1/350) sqwang1983 2010-05-12 2010-05-13 08:34:05 by zzy870720z
[QE(Pwsc ] 【转载】PWscf postdoc opportunity @ ANL (评阅+2) (6/1242) xirainbow 2009-11-19 2010-05-12 23:11:07 by xirainbow
[MS] 【求助】MS构建结构 (0/215) 随心意 2010-05-12 2010-05-12 20:49:43 by 随心意
[热点前沿 ] 【求助】平均场理论和朗道理论的关系? (0/1158) beyondboyy 2010-05-12 2010-05-12 20:18:06 by beyondboyy
[MS] 【求助】Nb2O5晶体结构数据 (7/1538) liujie1003 2010-04-15 2010-05-12 19:24:18 by xuexue9990
[Vasp&Me ] 【求助】vasp磁矩计算 (8/3157) weiwei128 2010-05-12 2010-05-12 18:49:51 by nkleof
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