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[热点] 困死了 myrtle 2026-06-10 刚刚
[Vasp&Me ] 【求助】关于vasp (2/502) chiqiong 2010-09-19 2010-09-19 17:06:42 by lgxyz
[Vasp&Me ] 【求助】求linux下的p4vasp (4/1496) zhjh888888 2010-03-31 2010-09-19 14:55:08 by cenwanglai
[MS] 【求助】能带结构分析    ( 1 2 ) (13/1201) 313838515 2010-06-15 2010-09-19 14:15:28 by zxzj05
[MS] 【求助】自旋污染 (6/961) sdjgdu 2010-09-13 2010-09-19 12:48:27 by sdjgdu
[MS] 【求助】收敛 (4/809) newton3915 2010-05-28 2010-09-19 12:41:18 by cenwanglai
[MS] 【求助】收敛设置问题 (4/976) shelay 2010-06-17 2010-09-19 10:00:56 by guolianshun
[MS] 【求助】吸附成功了,但是没有castep文件是怎么回事啊? (4/783) liang7035 2010-06-20 2010-09-19 09:41:11 by guolianshun
[MS] 【放弃求助】COMPASS力场能用于金属有机物的计算吗? (2/1261) qiangwxr 2010-06-17 2010-09-19 08:30:01 by qiangwxr
[Abinit] 【求助】安装abinit是的错误 (2/711) yangkunspace 2010-09-16 2010-09-18 22:17:19 by zzhuan_2001
[MS] 【求助】Castep计算时如何设置压力收敛呢? (0/380) tranquilseaside 2010-09-18 2010-09-18 16:46:44 by tranquilseaside
[其他] 【求助】求CaCO3的ICSD数据 (2/441) lzl8181 2010-09-17 2010-09-18 12:04:22 by lzl8181
[MS] 【求助】态密度 (6/712) shuai87101 2010-05-26 2010-09-18 11:47:39 by guolianshun
[其他] 【求助】求各位帮忙 (0/170) Prettyswan 2010-09-16 2010-09-18 09:38:13 by Prettyswan
[MS] 【求助】MS5.0应用程序异常? (0/237) dyk325 2010-09-17 2010-09-18 09:38:04 by dyk325
[MS] 【求助】请教高手,掺Al氧化锌中周围不同位置的H的生成能用何公式计算啊? (0/248) kuangwei1984 2010-09-17 2010-09-18 09:37:59 by kuangwei1984
[Vasp&Me ] 【求助】关于EDIFFG 用能量还是用力? (9/1580) lgxyz 2010-09-17 2010-09-18 09:01:04 by lgxyz
[MS] [关贴]【求助】MS计算介电常数时polarization如何设置? (1/1183) casjxm 2010-09-17 2010-09-17 17:20:58 by guolianshun
[Vasp&Me ] 【求助】出现以下警告一般是哪些设置出现了问题? (4/984) 215215 2010-09-17 2010-09-17 16:11:13 by sunyang1988
[Vasp&Me ] 【求助】VASP计算cluster出错! (5/1347) zmj110 2010-09-17 2010-09-17 14:50:22 by zmj110
[MS] 【求助】点击FORCITE进行几何结构优化出现OnConnect error! (2/381) lifenliu 2010-09-16 2010-09-17 13:10:57 by Tower.Tsu
[Siesta& ] 【求助】siesta中的赝势的问题 (2/597) huangshp 2010-05-12 2010-09-17 11:11:45 by zhangguangping
[MS] 【求助】做吸附需不需要溶剂化呢? (0/296) 端木青 2010-09-17 2010-09-17 10:32:20 by 端木青
[Siesta& ] 【求助】求个ATK2009 win的 licence    ( 1 2 3 ) (21/1639) jiewei 2010-01-20 2010-09-17 10:30:34 by bluce
[MS] 【求助】MS计算DOS请教 (6/1048) lxrui 2010-09-16 2010-09-17 10:05:31 by scq123
[MS] 【求助】安装ms的 install license时老是出错 (2/972) wjhxjdx 2010-09-16 2010-09-17 09:59:52 by wjhxjdx
[Siesta& ] 【求助】ATK计算双电极体系的总能量    ( 1 2 ) (11/2107) zhaicatty 2010-09-09 2010-09-17 09:48:39 by zhaicatty
[MS] 【求助】ms创建一个新的project的时候出错 (7/777) bubuweiying 2010-09-16 2010-09-17 09:39:33 by xiaoke_w
[Siesta& ] 【求助】如何画体系态密度? (1/418) wutingting5283 2010-09-16 2010-09-17 09:00:58 by wutingting5283
[MS] 【求助】文件怎样上传服务器啊 (1/503) guolianshun 2010-09-16 2010-09-17 08:50:28 by ym23
[其他] 【求助】ZnO中参与成键的是3d还是4s电子 (5/698) vaspstudy 2010-09-16 2010-09-17 08:48:42 by zhouxiaohua
[MS] 【求助】MS 安装问题(期待高手解决) (4/618) sss3012 2010-09-16 2010-09-17 08:04:55 by sss3012
[MS] 【求助】结构优化 (0/348) newton3915 2010-09-16 2010-09-16 20:08:44 by newton3915
[Vasp&Me ] 【求助】报错LAPACK: Routine ZPOTRF failed (1/1242) liluyan 2010-09-16 2010-09-16 19:56:04 by peng.029
[MS] 【求助】压力下几何结构的变化问题。    ( 1 2 ) (10/1226) 鲤鱼飞 2010-09-14 2010-09-16 18:08:14 by 鲤鱼飞
[MS] 【求助】用MS计算固溶体的可行性 (6/1269) crystalgirl1 2010-09-02 2010-09-16 17:57:49 by aylayl08
[Vasp&Me ] 【求助】有人用vasp算过LDA+U吗 (2/365) Akuang 2010-09-16 2010-09-16 17:17:04 by Akuang
[MS] 【求助】请帮忙分析CASTEP为什么不能算 (6/803) g_xq96 2010-09-15 2010-09-16 17:12:06 by ljl8209
[Vasp&Me ] 【求助】vasp做表面结构 (2/291) chiqiong 2010-09-16 2010-09-16 17:09:46 by chiqiong
[MS] 【求助】计算表面 (3/899) liuhongge1 2010-09-16 2010-09-16 16:01:36 by guolianshun
[Vasp&Me ] 【求助】VASP计算cluster出错! (2/992) zmj110 2010-09-16 2010-09-16 15:11:28 by zmj110
[MS] 【求助】什么是RASHBA 效应 (0/1532) 思想家 2010-09-16 2010-09-16 13:09:48 by 思想家
[热点前沿 ] 【求助】graophene K点距离问题 (4/806) wanwanq 2010-09-03 2010-09-16 10:37:07 by goldenfisher
[MS] 【求助】fedora 13可以安装MS4.4吗? (4/508) blueybz 2010-09-15 2010-09-16 09:37:39 by zhengjinde
[Vasp&Me ] 【求助】给一种结构两种不同的磁矩分布,结果得到相同的磁矩分布,但能量却相差很大 (3/1048) 小木虫于 2010-09-15 2010-09-16 09:26:23 by valenhou001
[Vasp&Me ] 【求助】优化ENCUT出现异常    ( 1 2 ) (19/1469) lgxyz 2010-06-26 2010-09-16 08:33:37 by lgxyz
[Abinit] 【求助】求助关于第一性原理论文 (2/406) 李艳慧 2010-09-15 2010-09-16 07:10:15 by sciencemaji
[MS] 【求助】请教,fedora下能否安装material studio?    ( 1 2 ) (12/2409) 04nylxb 2010-09-14 2010-09-16 04:28:07 by babaleo
[Vasp&Me ] 【求助】VASP结构优化 (7/2359) chen_yang 2010-08-03 2010-09-16 01:47:32 by 1003307944
[Vasp&Me ] 【求助】VASP的开发组名称叫什么? (1/473) vaspstudy 2010-09-15 2010-09-15 23:58:14 by hchfox
[MS] 【求助】Dmol计算能带时的k点设置问题 (3/964) yuhong2891 2010-09-14 2010-09-15 23:31:44 by vasp001
[MS] 【求助】请问为何这个金属是否没法做phonos计算? (0/251) 鲤鱼飞 2010-09-15 2010-09-15 22:58:53 by 鲤鱼飞
[MS] 【求助】安装Materials Studio 总是提示JRE 环境找不到, (0/889) vasp001 2010-09-15 2010-09-15 21:37:26 by vasp001
[其他] 【求助】急需寻求各位虫友帮忙关于别人文章里实验结果的问题 (5/808) gghcd 2010-09-14 2010-09-15 21:04:05 by gghcd
[Siesta& ] 【求助】优化几何构型问题 (3/796) soulsai 2010-06-18 2010-09-15 20:38:11 by 思想家
[Siesta& ] 【求助】我在VNL 已经建立好模型想放到DOML3中区优化。。要怎么导入到DOMO (2/406) 思想家 2010-09-15 2010-09-15 20:33:38 by 思想家
[Vasp&Me ] 【求助】关于vasp占用的内存 (1/847) lgxyz 2010-09-15 2010-09-15 19:23:57 by lgxyz
[MS] 【求助】MS打不开怎么回事呢 (3/991) xiaodiandian 2010-09-15 2010-09-15 19:17:06 by wjhxjdx
[MS] 【求助】如何利用castep计算的能带结果绘制布里渊区? (4/2187) xtrlcj 2010-09-12 2010-09-15 18:50:06 by spatial
[Vasp&Me ] 【求助】关于vasp NEB (评阅+1) (8/2360) lgxyz 2010-09-07 2010-09-15 17:47:08 by peng.029
[MS] 【求助】石墨烯吸附的位置研究 (0/418) baoyan 2010-09-15 2010-09-15 17:22:14 by baoyan
[MS] 【求助】吸附计算时原子半径的误差问题 (2/321) baoyan 2010-09-15 2010-09-15 16:56:04 by baoyan
[Siesta& ] 【求助】求ATK10.8的详细说明书 (3/515) hedge 2010-09-15 2010-09-15 16:32:33 by wuli8
[MS] 【求助】内坐标及结合能 (1/293) guyudan 2010-09-15 2010-09-15 16:17:01 by baoyan
[MS] 【求助】布居数 (3/2732) liuhongge1 2010-05-27 2010-09-15 15:39:09 by luobenhua
[其他] 【求助】薄膜的第一性计算 (0/395) annann 2010-09-15 2010-09-15 15:16:50 by annann
[热点前沿 ] 【求助】15金币求助diamond如何将原子自动添加键连接起来 (0/2025) cassie0795 2010-09-15 2010-09-15 14:13:51 by cassie0795
[其他] 【转帖】布里渊区的特殊k点采样问题研究 (7/1487) wuli8 2010-09-14 2010-09-15 13:06:16 by xiaoyuzhang
[MS] 【求助】各位路过的大虫,做过discover的大虫!请留步 (4/709) 端木青 2010-09-14 2010-09-15 12:43:11 by 端木青
[其他] 【其他】缺陷形成能与电中性要求    ( 1 2 ) (12/3586) vaspstudy 2010-09-13 2010-09-15 12:33:10 by valenhou001
[Siesta& ] 【求助】atk说明书中LDOS问题 (4/1131) kaypu 2010-09-09 2010-09-15 12:08:57 by kaypu
[Abinit] 【求助】能进行准粒子自洽(quasiparticle self-consistent GW=QSGW )计算的软件有哪 (5/1402) zxling 2010-09-14 2010-09-15 11:09:33 by zxling
[Vasp&Me ] 【求助】帮忙VASP写个小程序    ( 1 2 3 ) (21/2455) wo8165827 2010-09-11 2010-09-15 11:03:33 by 拓海1627
[MS] 【求助】结构优化后,静态计算竟然失败? (8/2473) ddang100 2010-08-26 2010-09-15 09:30:35 by gongjijun
[Vasp&Me ] 【求助】推荐些好用的EOS状态方程拟合程序 (3/1338) calos818 2010-09-14 2010-09-15 08:10:54 by calos818
[MS] 【求助】帮忙拟合一下 (7/1311) laidaohui 2010-09-02 2010-09-14 23:01:46 by 思想家
[Vasp&Me ] 【求助】求后钙钛矿的POSCAR文件坐标 (4/987) cuihang 2010-09-14 2010-09-14 22:17:48 by cuihang
[热点前沿 ] 【求助】CASTEP (金币≥1)(5/103) convenient 2010-09-01 2010-09-14 22:13:49 by lili_123
[MS] 【求助】布局数分析 (4/1395) lishufei 2010-09-13 2010-09-14 21:57:26 by mouse3511
[Siesta& ] [求助]什么结构可以在VNL 中计算能带和DOS    ( 1 2 ) (16/2145) 思想家 2010-09-10 2010-09-14 20:24:32 by 椰浆饭
[MS] 【求助】MS中MPI的问题 (4/772) clszxh02 2010-09-13 2010-09-14 19:01:05 by clszxh02
[MS] 【求助】计算成功,数据没下载下来怎么办?请高手指导。 (5/438) zhanglx8632 2010-09-14 2010-09-14 18:59:37 by zhanglx8632
[QE(Pwsc ] 【求助】关于PWSCF介电常数和声子谱的计算 (7/3376) identation 2010-09-11 2010-09-14 18:12:29 by goldenfisher
[MS] 【求助】MD问题:Anderson方法和Nose方法 (1/476) siga5609 2010-09-14 2010-09-14 17:17:54 by enola
[Vasp&Me ] 【求助成功】谁能发给我一个Gaussian Veiw,谢谢! (2/237) sunyang1988 2010-09-14 2010-09-14 16:44:59 by whong
[MS] 【求助】ms安装不上怎么弄?    ( 1 2 ) (15/1855) 张丽英 2010-09-13 2010-09-14 16:01:36 by aaq2800
[Vasp&Me ] 【求助】表面结构 (1/274) chiqiong 2010-09-14 2010-09-14 15:59:19 by valenhou001
[热点前沿 ] 【分享】elk-1.1.4 (评阅+1) (9/1617) 锐利的碎片 2010-08-15 2010-09-14 15:33:04 by ifmc1234
[MS] 【求助】高压下 单壁碳纳米管的相变后的结构 (1/485) zhangjunkai 2010-09-14 2010-09-14 14:52:21 by valenhou001
[Vasp&Me ] 【求助】请问如何限制磁矩方向和大小 (6/1942) 020080730 2010-09-10 2010-09-14 14:44:41 by valenhou001
[MS] 【求助】新手求助各位大侠 可以在MS选择中心原子吗~~ (1/629) waitbreeze 2010-09-14 2010-09-14 13:17:22 by ym23
[MS] 【求助】安装MS5.0的操作系统    ( 1 2 ) (10/1601) 眉峰 2010-09-13 2010-09-14 12:55:46 by 眉峰
[MS] 【求助】请大家看看,有红包赠送!一组能带图分析    ( 1 2 ) (14/2265) g_xq96 2010-05-18 2010-09-14 10:53:22 by 思想家
[其他] 【求助】吸附 (6/641) 徐亮8090 2010-09-10 2010-09-14 10:33:11 by yefeixjtu
[Siesta& ] 【求助】*.RHO文件中的负值是什么意义? (1/681) zhanglei3409 2010-09-13 2010-09-14 08:31:33 by xhsh
[Vasp&Me ] 【求助】vasp的HSE泛函 (2/1436) ikea1984 2010-09-02 2010-09-14 00:00:40 by hughluhan
[Vasp&Me ] 【求助】vasp的精度 (6/679) yidiandian2703 2010-09-13 2010-09-13 23:56:22 by yidiandian2703
[MS] 【求助】表面吸附我用MS中的castep还是discover    ( 1 2 ) (13/1738) guolianshun 2010-09-11 2010-09-13 19:45:31 by 爱惜花草
[MS] [关贴]【求助】MS-discover 中能量分析的问题 (0/282) qflp 2010-09-13 2010-09-13 16:24:25 by qflp
[Siesta& ] 【求助】弱弱问一下,bias window 怎么定义呢 (评阅+1) (3/656) wchen 2010-09-07 2010-09-13 16:03:40 by ifmc1234
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