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[热点] 关于水星近日点进动成因的质疑 与实证分析 yjqwhwc3159 2026-06-10 刚刚
[MS] 【求助】甲醇水蒸气制氢和甲醇液相制氢有什么区别 (0/291) liujie5631 2010-09-13 2010-09-13 15:59:29 by liujie5631
[MS] 【求助】金属间化合物的腐蚀机理    ( 1 2 ) (10/1780) meimeidyh 2010-05-09 2010-09-13 15:32:17 by ppqq520
[MS] 【求助】原子轨道你和分子轨道求助 (1/350) 562931235 2010-09-13 2010-09-13 14:25:35 by 562931235
[MS] 【求助】利用MS可以计算晶格常数随温度的变化吗?可以结合德拜准谐近似,求方法 (2/427) rechill 2010-09-13 2010-09-13 13:45:18 by rechill
[MS] 【求助】如何获得晶体的各项参数 (2/310) lgl615427 2010-09-13 2010-09-13 12:54:06 by michael1883
[MS] [关贴]【求助】稀土元素Y在镍基表面是否偏聚!! (0/174) liang7035 2010-09-13 2010-09-13 10:53:07 by liang7035
[其他] 【其他】S. B. Zhang作品中关于缺陷形成(能)热力学问题 (2/462) vaspstudy 2010-09-13 2010-09-13 10:49:31 by vaspstudy
[Vasp&Me ] 【求助】vasp计算的结果显示segmentation fault是什么错误 (5/1892) chiqiong 2010-09-12 2010-09-13 10:19:26 by chiqiong
[MS] 【求助】弹性常数问题 (2/642) Huanhuan5360 2010-09-13 2010-09-13 10:02:42 by 锐利的碎片
[Vasp&Me ] 【求助】问个关于vasp能量的老问题 (3/963) chimegreen 2010-09-12 2010-09-13 08:56:07 by cenwanglai
[Siesta& ] 【求助】atk中双电极求出中间分子的态密度方法 (2/407) kaypu 2010-09-12 2010-09-13 08:55:10 by zhangguangping
[Vasp&Me ] 【求助】vasp计算能带K点选取 (2/1546) bnliu 2010-09-08 2010-09-13 08:33:40 by bnliu
[MS] 【求助】CASTEP结构优化分数坐标大于一,可能吗? (3/576) babaleo 2010-09-08 2010-09-13 07:58:06 by babaleo
[MS] 【求助】请问大家谁遇到过这样的问题,MS安装之后无法使用量键长键角的工具。送20个金 (3/1133) stefsui 2010-09-11 2010-09-12 22:36:13 by stefsui
[MS] 【求助】MS计算图像怎么输出出来呢 (6/947) zhanglx8632 2010-09-12 2010-09-12 20:36:50 by yindeqiang
[MS] [关贴]【分享】MS 计算的硬件问题 (评阅-2) (1/276) sss3012 2010-09-12 2010-09-12 20:36:39 by lbambool
[Vasp&Me ] 【求助】请问stdout (2/281) lgxyz 2010-09-12 2010-09-12 19:38:35 by lgxyz
[其他] 【求助】请高手给点建议:做模拟是用fortran语言和C语言哪个比较 (3/1143) hnhslwj 2010-09-12 2010-09-12 19:08:14 by ifmc1234
[QE(Pwsc ] 【求助】50金币求Sr Ti Mn和O的ABINIT的GGA赝势转化成的PWSCF_UPF形式 (2/483) identation 2010-09-11 2010-09-12 12:27:52 by identation
[Vasp&Me ] 【求助】提交任务后,这是nohup.out文件,各位高手帮忙看看有没有问题 (3/1246) chiqiong 2010-09-12 2010-09-12 12:13:17 by cenwanglai
[Siesta& ] 【求助】ATK中第一性和NGF是怎么结合起来的    ( 1 2 3 ) (22/2311) xiaomizz22 2010-05-06 2010-09-12 09:40:02 by 椰浆饭
[Vasp&Me ] 【求助】正则系综分子动力学模拟一个设置问题 (2/953) stractor 2010-09-11 2010-09-12 09:08:27 by fantouwen
[MS] 【求助】materials studio可以run,但是run完后不能分析,这是怎么回事啊? (0/744) fujishima 2010-09-12 2010-09-12 02:05:20 by fujishima
[Siesta& ] 【求助】用2010.8算I-V曲线怎么算啊? (4/1252) qing-fang 2010-09-01 2010-09-11 19:11:07 by qing-fang
[MS] 【求助】MS和abinit中PDOS的计算原理一样吗? (5/1120) lzl8181 2010-09-08 2010-09-11 18:03:13 by lzl8181
[Abinit] 【求助】Abinit输出文件中的一个小细节 (2/437) mazuju028 2010-09-11 2010-09-11 16:48:25 by mazuju028
[MS] 【求助】关于ms如何看各个原子的DOS图? (1/487) davidyow 2010-09-11 2010-09-11 16:44:46 by zhangjunkai
[MS] 【求助】金属氧化物掺杂过渡金属的优化 (3/948) 百合绘梦 2010-07-04 2010-09-11 16:05:00 by guolianshun
[热点前沿 ] 【求助】有精通QMC的吗 (1/476) ikea1984 2010-09-11 2010-09-11 15:39:52 by 锐利的碎片
[MS] 【求助】从能带图看是否为绝缘体 (2/678) wpwei 2010-09-11 2010-09-11 15:15:22 by ym23
[MS] 【求助】纳米管的周期长度多长合适? (5/974) ym23 2010-09-10 2010-09-11 11:13:32 by ym23
[MS] 【求助】CASTEP计算数据下载不下来是什么原因呢? (1/424) zhanglx8632 2010-09-11 2010-09-11 11:04:10 by ym23
[MS] 【求助】MS 晶体构造 (0/193) nihaifang- 2010-09-11 2010-09-11 10:47:09 by nihaifang-
[Vasp&Me ] 【求助】vasp做分子动力学模拟 (5/1633) gzhao1980 2010-09-04 2010-09-11 10:46:53 by gavinliu7390
[MS] 【求助】CASTEP计算 (5/1264) 花痴8621 2010-06-10 2010-09-11 10:30:13 by guolianshun
[Vasp&Me ] 【求助】CO算例求助 (1/461) 江山2010 2010-08-12 2010-09-11 10:04:11 by guolianshun
[热点前沿 ] [专家] 【求助】国内有哪家用TPS算法来研究晶体结构相变的吗? (4/1005) dxcharlary 2010-08-25 2010-09-11 10:01:19 by hufeng
[MS] 【求助】用CASTEP 做IR计算时,出现错误 (评阅+1) (8/1792) zhanping 2010-09-07 2010-09-11 09:55:11 by zhanping
[Vasp&Me ] 【求助】ZnO中的缺陷荷电状态怎么定    ( 1 2 ) (11/1926) vaspstudy 2010-09-09 2010-09-11 09:22:20 by vaspstudy
[Vasp&Me ] 【求助】vasp安装问题,急求解决办法~~~ (7/1398) 眉峰 2010-09-08 2010-09-11 09:11:35 by 贺仪
[MS] [关贴]【求助】优化过程中参数无变化 (5/428) guolianshun 2010-09-10 2010-09-11 08:58:52 by guolianshun
[QE(Pwsc ] 【求助】计算 (评阅+1) (9/1001) newton3915 2010-06-12 2010-09-11 08:43:52 by zhuguomin1
[Vasp&Me ] 【求助】计算 再次出错?? 呵呵 (1/236) zhuguomin1 2010-09-03 2010-09-11 08:37:02 by zhuguomin1
[Vasp&Me ] 【求助】关于vasp (1/506) chiqiong 2010-09-10 2010-09-11 00:57:06 by vimtex
[MS] 【求助成功】MS 画电荷密度图时,怎么调整刻度标尺的位置 (3/1922) xh512 2010-09-10 2010-09-10 22:45:09 by feass2
[MS] 【求助】奇怪--CASTEP计算遇到的一个现象 (评阅+1) (8/1026) zhanglx8632 2010-09-06 2010-09-10 21:23:04 by zhanglx8632
[MS] 【求助】gateway timeout什么意思啊 (4/4586) guolianshun 2010-09-10 2010-09-10 21:18:47 by luobenhua
[Vasp&Me ] 【求助】vasp 金属体相优化 (0/588) lgxyz 2010-09-10 2010-09-10 19:05:01 by lgxyz
[Vasp&Me ] 【求助】怎样把linux的bash脚本编译成windows下的可执行文件(.exe)    ( 1 2 ) (16/1932) sunyang1988 2010-09-10 2010-09-10 18:37:05 by hedaors
[Vasp&Me ] 【求助】vasp计算出错 (评阅+1) (2/800) piaoxue001 2010-08-31 2010-09-10 16:18:44 by piaoxue001
[Vasp&Me ] 【求助】关于晶体表面 (4/733) lgxyz 2010-09-09 2010-09-10 16:15:25 by gaottgougou
[Vasp&Me ] 【求助】关于vasp (3/468) chiqiong 2010-09-09 2010-09-10 16:10:10 by ifmc1234
[MS] 【求助】空位晶胞建立界面 (3/474) michael1883 2010-07-01 2010-09-10 11:15:56 by guolianshun
[MS] 【求助】请问ms 安装后的configuration 是否正确? (4/902) tranquilseaside 2010-09-09 2010-09-10 10:02:56 by shuo2008
[Vasp&Me ] 【求助】关于表面覆盖率 (3/638) lgxyz 2010-09-09 2010-09-10 08:54:35 by fanchen021
[Siesta& ] 【求助】双电极系统的态密度与能级关系 (4/1159) kaypu 2010-09-08 2010-09-10 07:54:02 by kaypu
[其他] 【求助】P6122中有几个独立的弹性常数?是不是C11,C12,C13,C33,C44 (1/2085) dalongmao 2010-09-09 2010-09-09 23:06:16 by wangle_xq
[MS] 【求助】Lennard-Jones曲线计算 (3/674) tjufyn 2010-09-08 2010-09-09 20:14:02 by tjufyn
[MS] 【求助】能带结构图中,最高占据能带与最低未占据能带的专业名称是什么呢? (7/1797) flyfly20069888 2010-09-08 2010-09-09 20:06:14 by flyfly20069888
[MS] [关贴]【求助】建锐钛矿一个101面 (4/1029) guolianshun 2010-09-08 2010-09-09 18:58:40 by guolianshun
[MS] 【求助】MS的castep计算出错! (0/428) zmj110 2010-09-09 2010-09-09 17:39:17 by zmj110
[MS] 【求助】PWPP平面波赝势方法 (0/440) guolianshun 2010-09-09 2010-09-09 16:26:46 by guolianshun
[MS] 【求助】MS5.0安装问题(急) (2/504) ping888 2010-09-09 2010-09-09 15:55:15 by sunyang1988
[MS] 【求助】MS5.0安装问题error (评阅+1) (2/417) ping888 2010-09-07 2010-09-09 15:46:53 by ping888
[MS] 【求助】Linux下 结构优化的问题 (4/1473) franch 2010-09-08 2010-09-09 15:34:05 by hn19870519
[Siesta& ] 【求助】siesta计算phonon,报错如下,大家帮忙 (1/472) smartly 2010-09-09 2010-09-09 15:12:59 by ifmc1234
[MS] 【求助】CASTEP计算中一些问题想不通 (4/869) zhanglx8632 2010-09-08 2010-09-09 12:54:10 by zhanglx8632
[MS] 【求助】费米能级处的状态填充高低代表什么? (4/1405) wanglianli136 2010-09-08 2010-09-09 09:30:41 by wanglianli136
[MS] 【求助】介电函数实部的意义? (2/1974) freshman8185 2010-09-08 2010-09-09 09:23:23 by identation
[MS] 【求助】MS计算时,服务器死机怎么办? (评阅+1) (5/955) shuo2008 2010-09-07 2010-09-09 08:48:58 by ym23
[MS] 【求助】谁能提供生成富勒烯坐标文件的网站,谢谢 (5/1259) luokei 2010-09-08 2010-09-09 08:48:57 by luokei
[MS] 【求助】MS 计算问题 (3/1122) sss3012 2010-09-08 2010-09-09 08:31:12 by ramble81
[MS] 【求助成功】为什么每次我的机器MS死掉了后,算好的任务没有传回来就删除了? (3/353) zyj8119 2010-06-23 2010-09-08 21:30:00 by zyj8119
[MS] 【求助成功】每次重新打开MS,总是在 reconnecting jobs这一步很慢 (1/203) zyj8119 2010-09-05 2010-09-08 20:53:46 by zyj8119
[其他] 【求助】哪些软件可以计算拉曼移位与拉曼强度 (3/738) vasp001 2010-06-10 2010-09-08 20:38:22 by wht0531
[Vasp&Me ] 【求助】poscar文件中的笛卡尔坐标一直迷惑,求解    ( 1 2 ) (评阅+1) (11/2642) 信任开花 2010-09-07 2010-09-08 20:13:27 by meinvren
[MS] 【求助】dmol3能带计算和态密度计算k点要一致吗? (评阅+2) (6/2230) ddang100 2010-09-03 2010-09-08 18:29:40 by ddang100
[其他] 【求助】paratec需要多少钱 (4/493) zxling 2010-09-08 2010-09-08 15:14:05 by zxling
[Vasp&Me ] 【求助】表面能计算时slab和bulk的区别 (2/2371) FFFd3689 2010-09-08 2010-09-08 14:50:29 by valenhou001
[MS] 【求助】CASTEP计算中的一些问题 (评阅+1) (8/1810) zhanglx8632 2010-09-07 2010-09-08 14:44:11 by zhanglx8632
[MS] 【求助】castep 结构优化中如何根据能量算出体模量B和B‘?    ( 1 2 ) (评阅+1) (13/2552) wy2008szy 2010-03-13 2010-09-08 13:20:10 by ylli
[MS] 【求助】castep算氧化镁 (评阅+1) (7/1072) yrx19861111 2010-09-07 2010-09-08 10:30:22 by yrx19861111
[QE(Pwsc ] 【求助】PWSCF 是否是免费的第一性原理软件 (2/1010) sss3012 2010-09-08 2010-09-08 10:23:14 by zzy870720z
[热点前沿 ] 【求助】溶解度系数模拟 (评阅+1) (5/838) fu19871111 2010-08-15 2010-09-08 10:03:07 by fu19871111
[MS] 【求助】ms5.0 安装问题??? (1/626) dyk325 2010-09-07 2010-09-08 09:05:39 by zhengjinde
[MS] 【求助】ms倒出POSCAR时出问题 (评阅+1) (5/784) bnliu 2010-09-06 2010-09-08 08:38:21 by freedom8928
[其他] 【求助】杂质原子要考虑LDA+U吗 (评阅+1) (1/622) vaspstudy 2010-09-07 2010-09-08 08:35:30 by luobenhua
[Vasp&Me ] 【求助】VASP正则系综模拟问题 (4/1676) stractor 2010-09-02 2010-09-08 08:21:48 by stractor
[其他] 【求助】曙光服务器与五舟比较 (0/1623) 夕阳西下 2010-09-08 2010-09-08 04:12:19 by 夕阳西下
[MS] 【求助】吸附自由能和吸附能的理解 (评阅+1) (2/5555) coella 2010-09-07 2010-09-07 22:58:09 by zmrright
[MS] 【求助】继续求助ms安装过程中的license (评阅+1) (6/1153) tranquilseaside 2010-09-07 2010-09-07 22:55:46 by zmrright
[QE(Pwsc ] 【求助】用pwscf做neb计算时出现错误 (0/364) 杜海芹 2010-09-07 2010-09-07 22:30:11 by 杜海芹
[Vasp&Me ] 【求助】如何从DOS看High Spin 和Low Spin态 (评阅+1) (7/1559) calos818 2010-09-07 2010-09-07 21:25:38 by 江山8806
[Siesta& ] 【求助】atk中电流线性问题 (评阅+1) (2/312) kaypu 2010-09-07 2010-09-07 19:58:02 by fan159
[MS] 【求助】再来讨论下Castep如何计算应力-应变曲线的问题! (评阅+2) (5/1382) shxincui518 2010-09-06 2010-09-07 19:52:32 by 鲤鱼飞
[MS] 【求助】castep计算,导入文件失败? (评阅+1) (1/867) astrolia 2010-09-07 2010-09-07 16:23:07 by ym23
[MS] 【求助】求助materials studio 安装过程中的Gateway (评阅+1) (4/834) tranquilseaside 2010-09-07 2010-09-07 16:20:48 by 绿世奇球
[MS] 【求助】有完全对晶胞去掉对称性的方法吗,    ( 1 2 ) (评阅+1) (15/3660) guolianshun 2010-09-06 2010-09-07 15:16:17 by guolianshun
[Abinit] 【讨论】abinit可以计算差分电荷分布吗 (5/1491) zzy1123 2009-10-22 2010-09-07 14:12:04 by fzx2008
[其他] 【求助】问一下各位一维纳米材料各个晶面的表面能谁能算呀 (评阅+2) (0/293) pontiff9922 2010-09-07 2010-09-07 13:43:54 by pontiff9922
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