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[热点] 心脉受损 偏振片 2025-12-17 刚刚
[MS] [已完结]MS计算中的Energy Gap问题? (3/550) lzn_t 2012-09-26 2013-01-18 05:07:47 by lzn_t
[Vasp&Me ] [已完结]计算光学性质的方法有几种呢?各有什么优缺点呢? (1/1549) Gina88 2013-01-17 2013-01-18 00:36:07 by Gina88
[MS] [已完结]请教 光电流是用什么仪器测的? (4/1322) leachmond 2012-12-04 2013-01-17 21:04:04 by yangking91
[Vasp&Me ] [已完结]HSE方法做弛豫时参数如何设置    ( 1 2 ) (16/3077) sleep桉 2011-05-05 2013-01-17 18:12:08 by wuli8
[MS] [已完结]ZnO价带顶能量 (0/443) qlpsw12 2013-01-17 2013-01-17 14:12:36 by qlpsw12
[MS] [已完结]关于几何优化前的参数设定问题》。 (0/674) npuouwen 2013-01-17 2013-01-17 13:11:29 by npuouwen
[热点前沿 ] [已完结]关于选取晶报大小 (2/496) xiaoboy185 2013-01-16 2013-01-17 11:00:55 by zxynepu
[Vasp&Me ] [已完结]vasp计算静态出现错误! (5/1975) haowenping 2011-07-18 2013-01-17 07:50:38 by future_wl
[MS] [已完结]关于finite displacement声子谱计算的问题 (8/1600) youqin5912 2012-12-29 2013-01-17 04:21:57 by xiaoaosky
[热点前沿 ] [已完结]MS discover 能做溶液结晶吗? (0/334) xiongye1000 2013-01-16 2013-01-16 23:29:25 by xiongye1000
[热点前沿 ] [已完结]得失电子之后的自旋多重度的变化 (2/418) gwlsw890118 2013-01-16 2013-01-16 21:30:11 by lmzhao
[MS] [已完结]Cr最多能成几个键 (4/771) 猪要加油 2013-01-13 2013-01-16 17:30:41 by ptf6
[Vasp&Me ] [已完结]ALGO怎么设置,看手册看糊涂了。 (0/5631) Gina88 2013-01-16 2013-01-16 17:00:20 by Gina88
[Vasp&Me ] [已完结]为什么我得不出手册上计算NaF极化的值呢?Berry phase (1/460) yayanoba 2013-01-16 2013-01-16 16:44:52 by yayanoba
[MS] [已完结]請問一下斷電重跑的.check上限 (0/141) okmmjygv 2013-01-16 2013-01-16 15:50:14 by okmmjygv
[Wien2k& ] [已完结]【求助】关于用WIEN2K计算optic的 (2/477) stxjlyh 2013-01-11 2013-01-16 14:43:25 by rogger
[MS] [已完结]计算中收敛曲线不能及时更新 (0/270) anewtry 2013-01-16 2013-01-16 14:36:56 by anewtry
[MS] [已完结]凹凸棒石 ICSD (2/292) crope 2012-12-14 2013-01-16 14:25:19 by crope
[Vasp&Me ] [已完结]vasp做MD (3/1243) songp295 2013-01-15 2013-01-16 12:59:06 by songp295
[MS] [已完结]双轴应力下ZnO建模 (2/371) qlpsw12 2013-01-06 2013-01-16 12:15:19 by qlpsw12
[Vasp&Me ] [已完结]算极化率,结果出现问题,请各位虫友赐教    ( 1 2 ) (10/1081) anewtry 2013-01-13 2013-01-16 11:52:56 by digghost
[Vasp&Me ] [已完结]dos计算时被kill掉,为什么,求高手指点 (0/428) 西山一 2013-01-16 2013-01-16 11:32:12 by 西山一
[MS] [已完结]用castep中的dynamics计算势垒 (0/1185) lx_wonder 2013-01-16 2013-01-16 11:25:27 by lx_wonder
[MS] [已完结]castep计算的能量上下限设置 (3/581) hustzym 2013-01-15 2013-01-16 10:52:19 by hustzym
[其他] [已完结]如何画一个填充了的立方体 (2/392) 韩D小希 2013-01-14 2013-01-16 10:50:13 by 韩D小希
[MS] [已完结]求教KNbO3各种相的ISCD卡片信息 (2/386) xiao2dao 2013-01-15 2013-01-16 10:36:05 by xw2008
[MS] [已完结]用Dmol3优化结构后出现断键,怎么解决? (2/975) 学员AcTPy7 2013-01-11 2013-01-16 08:38:23 by qq364085265
[热点前沿 ] [已完结]编译问题,急求~~~ (4/1139) love5264 2013-01-08 2013-01-15 22:42:43 by lda8810809
[其他] [已完结]Vesta 颜色标度 上下限 怎么确定? (0/295) jidibinghumc 2013-01-15 2013-01-15 21:36:03 by jidibinghumc
[Vasp&Me ] [已完结]volume of cell 包含真空部分体积吗? (9/1028) Gina88 2013-01-08 2013-01-15 20:11:10 by chenyuchen
[MS] [已完结]在服务器控制台archive,手动存档后,输出文件是存在哪里的啊    ( 1 2 3 ) (23/1983) 量化新手 2011-11-17 2013-01-15 17:48:55 by 量化新手
[MS] [已完结]有关力场选择的问题 (0/952) wuchengyou6097 2013-01-15 2013-01-15 17:34:28 by wuchengyou6097
[MS] [已完结]版权问题求有经验的虫子指点 (0/488) fangyongxinxi 2013-01-15 2013-01-15 17:20:00 by fangyongxinxi
[MS] [已完结]软件自动退出问题 (1/410) yida 2013-01-15 2013-01-15 16:46:26 by yida
[Abinit] [已完结]怎么找材料的详细数据(能带,结构参数等等)    ( 1 2 ) (11/3162) sheng-1991 2012-09-04 2013-01-15 12:17:43 by zhuchunlli
[Siesta& ] [已完结]Siesta 3.1编译遇到问题 有没有同遭遇的 求问高人解决方法 (1/391) hitchar514 2012-12-04 2013-01-15 00:45:42 by love5264
[MS] [已完结]这种图是怎么画出来的呢? (9/1093) hustren008 2013-01-14 2013-01-14 22:54:31 by phq323
[MS] [已完结]求六方CdS的坐标位置 (0/354) liutaifeng 2013-01-14 2013-01-14 16:49:10 by liutaifeng
[Vasp&Me ] [已完结]光学计算OUTCAR后面那些数据是什么意思啊? (0/1639) Gina88 2013-01-14 2013-01-14 11:23:35 by Gina88
[MS] [已完结]关于晶体掺杂能量 (9/1367) anlen0615 2012-11-02 2013-01-14 07:29:04 by pengliusss
[Vasp&Me ] [已完结]掺杂价态 (0/588) x夏日的约定 2013-01-13 2013-01-13 21:43:45 by x夏日的约定
[热点前沿 ] [已完结]关于K点测试 (1/810) xiaoboy185 2013-01-11 2013-01-13 21:31:03 by souledge
[MS] [已完结]请问LSW方法用什么模块计算,有人做过BaFe12O19的模拟么 (0/143) hyjhust 2013-01-13 2013-01-13 19:56:52 by hyjhust
[QE(Pwsc ] [已完结]vc-relax 优化rutile TiO2结构问题 (1/759) leoaqu 2013-01-12 2013-01-13 15:03:17 by souledge
[Vasp&Me ] [已完结]BiFeO3价带顶如何确定    ( 1 2 ) (12/1775) future_wl 2013-01-10 2013-01-13 14:22:25 by dhc198611
[其他] [已完结]请问用第一性原理可以计算金属的液态氧化吗 (0/209) IamJessie 2013-01-13 2013-01-13 11:34:18 by IamJessie
[Vasp&Me ] [已完结]三个轴不等的情况怎么优化晶格常熟 (2/401) lyylyy1 2013-01-12 2013-01-13 00:34:08 by gavinliu7390
[MS] [已完结]无序晶体计算 (1/646) hwceng0816 2013-01-11 2013-01-12 22:53:45 by 周啸
[MS] [已完结]掺杂位是等效问题!!! (1/355) pengliusss 2013-01-12 2013-01-12 19:24:05 by pro_junjie
[Siesta& ] [已完结]部分原子的极化电荷密度 (0/347) lu_wei07 2013-01-12 2013-01-12 18:40:45 by lu_wei07
[Vasp&Me ] [已完结]LDOS (4/2048) liuqun 2012-06-27 2013-01-12 17:13:29 by yuraining
[其他] [已完结]急求,跪谢。帮忙下载一篇文献,感激不尽。 (1/273) cll小呆 2013-01-12 2013-01-12 13:33:46 by xmq135828
[MS] [已完结]lammps任务断电后怎样才能接着以前的断点继续计算 (1/1918) tianshuping 2013-01-10 2013-01-12 10:39:09 by anlen0615
[Siesta& ] [已完结]初学siesta,求学习资料 (6/856) 云端星雨 2012-12-26 2013-01-12 08:58:23 by love5264
[Vasp&Me ] [已完结]vasp 5.2 install 有errors和makefile 和 ifort mpich 运行情况 (1/819) Janus2024 2013-01-12 2013-01-12 02:45:08 by wzbhit
[Vasp&Me ] [已完结]请帮忙看看POSCAR中两个距离太近的原子的坐标怎么改下好 (0/636) anewtry 2013-01-11 2013-01-11 20:55:42 by anewtry
[MS] [已完结]大家帮分析下审稿专家想要我干什么 (3/722) 416726641 2013-01-08 2013-01-11 18:35:20 by hejinghui
[MS] [已完结]怎么显示分波(杂化产生的新的态)的态密度,怎么通过态密度计算磁性? (6/1188) 焦俊荣 2013-01-06 2013-01-11 17:39:20 by 焦俊荣
[热点前沿 ] [已完结]高斯计算中间物相的能量 (0/275) 秦巴农夫 2013-01-11 2013-01-11 16:09:12 by 秦巴农夫
[其他] [已完结]求文献 (0/153) gynan2008 2013-01-11 2013-01-11 16:07:42 by gynan2008
[MS] [已完结]简单建模问题,急求 (8/1246) yolanda1234 2013-01-09 2013-01-11 14:35:14 by mika
[MS] [已完结]ZnO castep仿真求助 (0/209) qlpsw12 2013-01-11 2013-01-11 12:23:50 by qlpsw12
[MS] [已完结]模拟聚合物之间的相互作用 (3/433) 风吹雪下 2012-12-01 2013-01-11 11:50:24 by jakielgh
[Vasp&Me ] [已完结]GdN能带结构的计算讨论 (0/202) gougou531 2013-01-11 2013-01-11 10:25:49 by gougou531
[Vasp&Me ] [已完结]bader分析文献求助 (2/393) wuli8 2013-01-10 2013-01-11 10:03:11 by wuli8
[Vasp&Me ] [已完结]态密度计算的是价电子的分布还是全部电子的分布,是否和赝势选取有关 (3/986) gougou531 2013-01-08 2013-01-11 09:53:27 by gougou531
[Vasp&Me ] [已完结]算能带的feimi能级怎么取 (6/574) lyylyy1 2013-01-08 2013-01-11 09:44:56 by digghost
[MS] [已完结][关贴]过聚合物的高温热解动力学模拟求助!!! (0/352) 学员AcTPy7 2013-01-11 2013-01-11 09:30:20 by qq364085265
[Vasp&Me ] [已完结]有关LDA+U参数设置问题!    ( 1 2 ) (14/3320) haowenping 2012-03-12 2013-01-11 07:46:46 by paopaotu326
[MS] [已完结]求教分子吸附的模拟计算 (4/812) zhaoling1985 2011-12-17 2013-01-11 07:46:14 by qiuyuan-w
[MS] [已完结]请问MS软件是否免费的?文章里面可用吗? (6/1070) keke1987 2013-01-09 2013-01-10 23:06:40 by keke1987
[MS] [已完结]gateway (0/257) shmilylxc 2013-01-10 2013-01-10 21:31:40 by shmilylxc
[其他] [已完结]thermocalc盗版软件能够正常使用么 (0/3592) chongzi135 2013-01-10 2013-01-10 15:47:05 by renweili
[热点前沿 ] [已完结]求助关于二维类石墨烯结构的vasp结构优化,能带计算 (0/1858) terry52112 2013-01-10 2013-01-10 14:32:06 by terry52112
[热点前沿 ] [已完结]这种态密度图说明什么? (1/1775) zhongyunxia 2013-01-10 2013-01-10 13:52:28 by mika
[MS] [已完结]CASTEP判断磁性! (2/634) stonezhoujun 2013-01-10 2013-01-10 11:37:28 by hwceng0816
[Vasp&Me ] [已完结]p4v可视化问题 (6/922) 贝芷苡 2013-01-06 2013-01-10 09:49:54 by yinhanqing
[Vasp&Me ] [已完结]vasp赝势库中镧系元素有后缀“_3”或是“_2”的是什么意思? (6/2413) mazuju028 2012-03-20 2013-01-10 07:01:51 by 呜呜哗啦
[MS] [已完结]DMOL优化所建的构型 (2/304) lihuiran818 2012-08-28 2013-01-10 06:08:01 by lihuiran818
[Vasp&Me ] [已完结]ENCUT测试    ( 1 2 ) (12/2317) xiaoluoj 2013-01-09 2013-01-09 22:04:28 by emilyoyang
[Siesta& ] [已完结]tbtrans计算出错,提示nc小于等于零 (3/673) maomao-666 2012-12-15 2013-01-09 20:44:15 by love5264
[Siesta& ] [已完结]siesta中.HSX文件halmilton矩阵排列 (0/279) kuku6666 2013-01-09 2013-01-09 18:12:52 by kuku6666
[MS] [已完结]能量势垒怎么看? (1/1086) flymice 2011-11-28 2013-01-09 17:30:06 by liuupc919
[Vasp&Me ] [已完结]用VASP+phonopy算声子时如何设hexagonal下的超胞 (1/414) 刘仕晨 2012-12-26 2013-01-09 11:27:41 by 刘仕晨
[MS] [已完结]各位相问下,搭建非晶胞为什么分子会溢出来呢 (0/207) wuchengyou6097 2013-01-09 2013-01-09 10:42:46 by wuchengyou6097
[MS] [已完结]只迭代4次,优化便成功结束。其实能量未收敛 (5/931) sygdgtlx 2013-01-06 2013-01-08 22:48:28 by 月下冰魂
[MS] [已完结]d band center如何求出 (1/514) 炼金师的傀儡 2013-01-07 2013-01-08 19:34:13 by 炼金师的傀儡
[热点前沿 ] [已完结]一个审稿意见,求指点 (评阅-6) (3/726) yy08 2013-01-08 2013-01-08 17:32:32 by yy08
[Wien2k& ] [已完结]wien2k并行错误 (0/333) 迷路的游侠 2013-01-08 2013-01-08 15:41:12 by 迷路的游侠
[Vasp&Me ] [已完结]BaTiO3 GGA/LDA+U U=? (1/511) tuhaidan 2013-01-07 2013-01-08 11:45:18 by VASP2010
[MS] [已完结]建模问题:基团对原子层的影响 (1/335) ywb2254 2013-01-07 2013-01-08 11:22:07 by qq364085265
[热点前沿 ] [已完结]Graphene Phonon Mean Free Path Calculation 石墨烯声子自由程计算 (1/595) sdzjc1988 2013-01-08 2013-01-08 09:03:52 by xwangan
[MS] [已完结]CASTEP中计算得到的Raman谱中的每个峰的原子振动情况怎么用图形表示出来? (0/517) UNSW-AO 2013-01-08 2013-01-08 08:50:15 by UNSW-AO
[Abinit] [已完结]abinit中in 文件里面rprim如何确定? (4/839) gynan2008 2012-12-25 2013-01-07 23:58:45 by 天气就是风景
[其他] [已完结]求文献 Journal of Materials Research 2009,24,2880-2885 (1/308) sjzxbe 2013-01-07 2013-01-07 19:50:19 by 空心立方体
[其他] [已完结]固体理论课后23题答案!!求助!!! (0/309) xingyanfei 2013-01-07 2013-01-07 17:35:45 by xingyanfei
[Vasp&Me ] [已完结]几种原子组成的体系怎么选择赝势 (0/341) 707462558 2013-01-07 2013-01-07 16:36:52 by 707462558
[其他] [已完结]有关石墨烯场效应管(GFET)迁移率和氧化层电容的问题 (0/784) haohaowind 2013-01-07 2013-01-07 16:04:33 by haohaowind
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