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	[MS] [已完結(jié)]quasi-harmoni capproximation 對于熔點以上還適用嗎？ (1/497)	hwceng0816 2012-09-22	2012-09-23 13:30:54 by souledge
[熱點]	260求調(diào)劑	朱芷琳 2026-03-21	剛剛
	[MS] [已完結(jié)]彈性常數(shù)計算 (2/646)	嗨，大家好 2012-05-03	2012-09-23 11:58:01 by alyssadong
	[MS] 我想問問波失應(yīng)該怎么理解？ (1/613)	一片兒陶客 2012-09-22	2012-09-22 20:03:24 by sunboyccc
	[MS] [已完結(jié)]關(guān)于AlGaN/GaN的能帶圖分析 (2/2931)	yiyu1006 2012-05-11	2012-09-22 18:00:27 by pengliusss
	[MS] [已完結(jié)]超胞大小的變化會影響最終的禁帶寬度結(jié)果嗎 (0/722)	guardian_qq 2012-09-21	2012-09-21 23:47:52 by guardian_qq
	[MS] [已完結(jié)]求助，如何利用Dmol進行單分子計算，導(dǎo)入的分子結(jié)構(gòu)是什么格式， (0/288)	lilanyu 2012-09-21	2012-09-21 22:14:17 by lilanyu
	[MS] 【求助】NaCl結(jié)構(gòu)（111）表面能計算建模求助 (7/2387)	michael1883 2010-11-18	2012-09-21 17:17:31 by yourne
	[MS] 【求助】模擬擴散軌跡 ( 1 2 ) (10/1479)	學(xué)員NnOUhz 2010-09-01	2012-09-21 11:29:09 by huangshuang1
	[MS] 【求助】納米管建模 (7/1654)	sdjgdu 2010-10-09	2012-09-21 06:33:35 by 707462558
	[MS] [已完結(jié)]求教！關(guān)于DMol和CASTEP計算晶體和含表面的平板模型的區(qū)別 (評閱-3) (1/662)	月只藍 2012-09-14	2012-09-20 21:19:01 by yourne
	[MS] [已完結(jié)]MS5.5計算金屬摻雜ZnO后不能分析各元素的態(tài)密度 (1/646)	菁菁亮 2012-09-19	2012-09-20 20:16:07 by wenzhiqin
	[MS] 【求助】兩個切面的γ角不同怎么調(diào)整組合成界面 ( 1 2 ) (11/1900)	8240668 2010-06-19	2012-09-20 19:57:55 by gcworm
	[MS] 第一性原理從本質(zhì)上解釋力學(xué)的本源—討論（1） (2/790)	zjj760120 2012-04-11	2012-09-20 18:14:17 by tonglijia
	[MS] [已完結(jié)]MS6.0 for Win搶先共享，本人親測，絕對可用（115網(wǎng)盤下載） (7/2540)	c5xiaoyi 2012-04-28	2012-09-20 17:36:37 by 擱淺蛟
	[MS] [已完結(jié)]怎么用第一性原理計算肖特基勢壘 (0/959)	曉陽輕輕 2012-09-19	2012-09-20 17:07:41 by 曉陽輕輕
	[MS] [已完結(jié)]CASTEP氧空位帶電荷問題如何設(shè)置 (2/1795)	P201102016 2012-09-20	2012-09-20 16:45:15 by sunyang1988
	[MS] [已完結(jié)]Gateway的疑惑 (4/876)	fengyu9519 2012-09-18	2012-09-20 16:12:24 by lvyan0309
	[MS] [已完結(jié)]我用Dmol3算能量，根據(jù)公式計算出的表面能，有正有負，負值是不穩(wěn)定面么？ (6/2890)	coffey7835 2012-04-30	2012-09-20 15:47:28 by aprilaj
	[MS] 做第一性原理計算的蟲友你們畢業(yè)都去了哪里？ ( 1 2 3 ) (28/2514)	hwceng0816 2012-07-12	2012-09-20 13:04:32 by anlen0615
	[MS] MS創(chuàng)建晶胞 (2/655)	cheapskate 2012-09-20	2012-09-20 12:40:13 by xd星期八
	[MS] [已完結(jié)]求助，這是什么問題，搞不清楚了，好久沒弄好，來求助高人了 (5/942)	wangjing8330 2011-12-16	2012-09-20 11:44:32 by nwpuxu
	[MS] [已完結(jié)][關(guān)貼]關(guān)于Gd元素的MS模擬幾何優(yōu)化的問題 (0/555)	qqabmqqabm 2012-09-20	2012-09-20 11:39:17 by qqabmqqabm
	[MS] [已完結(jié)][關(guān)貼]MS中g(shù)ulp計算聲子譜出錯 (0/1035)	hy218hy218 2012-09-20	2012-09-20 10:52:55 by hy218hy218
	[MS] [已完結(jié)]求助Materials-studio軟件 (3/437)	飄夢飛 2012-09-19	2012-09-20 10:01:27 by 飄夢飛
	[MS] [已完結(jié)]焙燒后的水滑石--XRD圖分析 (3/1675)	good---apple 2012-09-18	2012-09-20 09:59:23 by yangyuqi
	[MS] [已完結(jié)]請問投中國化學(xué)，彩圖是多少錢? (2/340)	lifeycc 2012-08-08	2012-09-19 22:02:51 by lifeycc
	[MS] [已完結(jié)]用實驗驗證擴散系數(shù) (0/266)	huangshuang1 2012-09-19	2012-09-19 20:21:01 by huangshuang1
	[MS] [已完結(jié)]怎么用第一性原理計算的結(jié)果計算歐姆接觸的肖特基勢壘 (5/1956)	曉陽輕輕 2012-09-18	2012-09-19 08:49:53 by 曉陽輕輕
	[MS] 模型的顯示 (0/159)	shmilylxc 2012-09-18	2012-09-18 16:38:56 by shmilylxc
	[MS] license (2/418)	shmilylxc 2012-09-18	2012-09-18 14:51:45 by shmilylxc
	[MS] 【求助】分析HOMO LUMO ( 1 2 ) (10/2374)	wanfei 2010-05-31	2012-09-18 13:00:12 by jianying8996
	[MS] [已完結(jié)]ms采用網(wǎng)關(guān)提交任務(wù) (0/390)	zhouxing1002 2012-09-18	2012-09-18 10:00:11 by zhouxing1002
	[MS] [已完結(jié)]求教：勢場輸出 (0/245)	tyabc 2012-09-18	2012-09-18 04:20:22 by tyabc
	[MS] [已完結(jié)]AC模擬盒中有水和聚合物，水用COMPASS力場，聚合物用PCFF力場,這樣有問題么 (2/980)	huangshuang1 2012-09-13	2012-09-17 21:34:46 by huangshuang1
	[MS] [已完結(jié)]大家來幫忙看下這個態(tài)密度圖 (4/1328)	jiaopeng8253 2012-03-14	2012-09-17 18:24:03 by 賀儀
	[MS] [已完結(jié)]求助怎么回復(fù)審稿意見 (0/380)	jiaopeng8253 2012-09-11	2012-09-17 18:23:52 by jiaopeng8253
	[MS] [已完結(jié)]γ-MnO2中Mn-O鍵平均鍵長 (0/445)	催化達人 2012-09-17	2012-09-17 17:20:07 by 催化達人
	[MS] [已完結(jié)]MS布里淵區(qū) (3/1678)	shmilylxc 2012-09-17	2012-09-17 16:56:56 by huangll99
	[MS] [已完結(jié)]求分享用materials-studio做熱力學(xué)性質(zhì)計算的例子 (1/1953)	kong我就是我 2012-09-15	2012-09-17 13:03:35 by xjliu
	[MS] [已完結(jié)]建模成功若將其轉(zhuǎn)化為初晶胞后出現(xiàn)的原子數(shù)比例不對的現(xiàn)象 (9/1016)	xy8711488 2012-09-11	2012-09-17 10:48:05 by xy8711488
	[MS] [已完結(jié)]請問怎么又CASTEP計算金屬團簇模型 (1/649)	wzffighting 2012-09-15	2012-09-17 10:18:30 by missu001
	[MS] [已完結(jié)]求助怎么回復(fù)審稿意見 (0/352)	jiaopeng8253 2012-09-17	2012-09-17 09:47:23 by jiaopeng8253
	[MS] [已完結(jié)]如何獲得一系列小分子的拓撲參數(shù)，用于QSAR (3/698)	Dream-weaver 2012-09-15	2012-09-17 09:45:52 by Dream-weaver
	[MS] [已完結(jié)]如何去掉由MS搭建晶胞中的一個原子 ( 1 2 ) (12/4281)	chengliping 2011-11-03	2012-09-17 07:54:45 by qqfd
	[MS] 【求助】50金幣求助建模 (10/1106)	snowhitsnow 2011-03-19	2012-09-16 16:12:11 by luokang
	[MS] [已完結(jié)]GIBBS程序可以做熱力學(xué)計算嗎？ (4/1042)	hwceng0816 2012-08-11	2012-09-16 13:35:21 by kervinzhao
	[MS] [已完結(jié)]各位大俠求助急啊 (0/299)	alyssadong 2012-09-16	2012-09-16 09:50:34 by alyssadong
	[MS] [已完結(jié)]十金幣求Te單質(zhì)的原子坐標(biāo) (2/291)	snowhitsnow 2012-09-14	2012-09-15 09:24:58 by anlen0615
	[MS] [已完結(jié)]求解discovery studio同源建模生成模型那步出錯 (0/850)	ljy1986 2012-09-14	2012-09-14 23:35:26 by ljy1986
	[MS] [已完結(jié)]CASTEP建模設(shè)置問題 (2/475)	P201102016 2012-09-13	2012-09-14 10:48:57 by P201102016
	[MS] [已完結(jié)]castep運行后幾天都無反應(yīng) (5/887)	liufeila 2012-09-11	2012-09-14 09:12:28 by awmc2008
	[MS] [已完結(jié)]引入額外氧空位使能級劈裂？ (0/310)	墨客 2012-09-13	2012-09-13 17:16:03 by 墨客
	[MS] [已完結(jié)]求教用castep計算石墨烯和碳納米管光學(xué)性質(zhì)的參數(shù)設(shè)置 (0/624)	maomao-666 2012-09-13	2012-09-13 17:00:01 by maomao-666
	[MS] [已完結(jié)]審稿意見回復(fù)求助？ (5/802)	風(fēng)蕭蕭棲 2012-09-12	2012-09-13 11:04:44 by casjxm
	[MS] [已完結(jié)]linux ms gateway 問題 ps ：window下ms能建18888gateway (7/1318)	w511476842 2011-10-28	2012-09-12 21:02:58 by xx4751
	[MS] 【求助】問問問問:團簇單獨用dmol3計算，和放在晶格里面算有什么區(qū)別�。�？？ (7/1266)	fanny0007 2010-04-02	2012-09-12 20:40:00 by wcj668899
	[MS] [已完結(jié)]dmol算400個硅原子是不是太多了 ( 1 2 ) (10/969)	Joannaouc 2012-09-11	2012-09-12 19:42:32 by 漂泊四方
	[MS] [已完結(jié)]windows7系統(tǒng)64位，裝了MS5.5里面的圖標(biāo)都一樣，怎么辦？急 (5/808)	wangth08 2012-09-10	2012-09-12 17:15:46 by wuguohao111
	[MS] [已完結(jié)]AC 形成氫鍵 (3/524)	huangshuang1 2012-09-12	2012-09-12 16:42:32 by huangshuang1
	[MS] [已完結(jié)]MS 結(jié)果求助見圖 (1/224)	cg陳 2012-09-12	2012-09-12 14:50:29 by cg陳
	[MS] [已完結(jié)]關(guān)于彈性常數(shù)例如C11，C12的初始準(zhǔn)確描述的課本 (5/3375)	liuxiaomai 2012-09-07	2012-09-12 10:44:46 by xiariyumi
	[MS] 調(diào)節(jié)castep對于晶體結(jié)構(gòu)總能的計算 (6/2082)	xcpu 2012-07-29	2012-09-11 16:58:31 by xcpu
	[MS] [已完結(jié)][關(guān)貼]Dmol 算出福井函數(shù)后，怎么畫出這種等高線圖��？？？ (1/1300)	gkf高 2012-05-28	2012-09-11 14:22:55 by gkf高
	[MS] 【求助】如何在原子間加上化學(xué)鍵 ( 1 2 ) (10/3821)	zhaojy008 2010-11-07	2012-09-11 11:26:04 by huangshuang1
	[MS] [已完結(jié)]MS求助切面后如何建立單元胞 (6/1144)	cg陳 2012-09-10	2012-09-11 11:13:40 by cg陳
	[MS] [已完結(jié)]到底在計算還是沒算？ (7/908)	wunianleng 2012-09-05	2012-09-11 09:49:51 by wunianleng
	[MS] [已完結(jié)]二氧化鈦納米管的構(gòu)建 (0/410)	707462558 2012-09-11	2012-09-11 09:49:11 by 707462558
	[MS] [已完結(jié)]如何找出LO TO劈裂 (1/1043)	future_wl 2012-06-29	2012-09-11 07:21:26 by future_wl
	[MS] [已完結(jié)]不能和QQ同時用 (5/727)	困龍 2012-08-29	2012-09-10 21:05:07 by 困龍
	[MS] [已完結(jié)]DPD模擬幫助文件中的例子出錯 (3/505)	chenzihan 2012-09-07	2012-09-10 19:23:58 by nan1026feng
	[MS] [已完結(jié)]如何計算鐵磁能量和反鐵磁能量 (1/1117)	mengchouchou 2012-09-10	2012-09-10 16:20:42 by vasp001
	[MS] 【求助】castep并行計算問題 ( 1 2 ) (15/2654)	w2056275 2009-04-15	2012-09-10 05:17:34 by 514709618
	[MS] [已完結(jié)]請教CASTEP中上/下自旋能帶結(jié)構(gòu)圖分別對應(yīng)alpha和beta的能帶結(jié)構(gòu)圖？ (1/1528)	綠世奇球 2012-09-09	2012-09-10 00:12:59 by souledge
	[MS] [已完結(jié)]material studio 安裝問題 ( 1 2 ) (14/1151)	liutaifeng 2012-09-07	2012-09-09 21:06:36 by 綠世奇球
	[MS] [已完結(jié)]ms中的一個問題 ( 1 2 ) (13/1454)	liangjun44 2012-05-28	2012-09-09 20:09:35 by liangjun44
	[MS] MS Castep結(jié)構(gòu)優(yōu)化后，+U計算性質(zhì)收斂慢 (3/1857)	xcpu 2012-09-07	2012-09-09 16:14:27 by lics19870210
	[MS] [已完結(jié)]建模求助 (2/352)	fengshiquan 2012-09-08	2012-09-09 11:17:04 by shulezhang
	[MS] [已完結(jié)]彈性常數(shù)計算和文獻相差很大 ( 1 2 ) (12/1088)	hwceng0816 2012-07-21	2012-09-09 06:54:34 by jmsdxyf
	[MS] [已完結(jié)]MS菜鳥求助各位大俠 (4/747)	wyywyy8888 2012-04-02	2012-09-09 06:37:13 by 夏小莫
	[MS] [已完結(jié)]關(guān)于CASTEP模板計算電腦配置問題 (4/1184)	444239852 2012-09-06	2012-09-08 23:43:25 by Zpffpz
	[MS] [已完結(jié)]Fermi level not found (2/540)	liuxiaomai 2012-09-07	2012-09-08 21:20:20 by mywtfmp3
	[MS] [已完結(jié)]急求！！如何簡化晶體結(jié)構(gòu)！ (7/1555)	lyl0514 2012-09-05	2012-09-08 17:09:52 by lyl0514
	[MS] [已完結(jié)]ms建模問題 ( 1 2 ) (12/845)	菲頂頂 2012-09-05	2012-09-07 19:46:45 by 菲頂頂
	[MS] [已完結(jié)]求可用的MS 5.0的.lic (5/1820)	marshors 2012-02-05	2012-09-07 13:01:20 by 就是小新
	[MS] 我算出來的Au原子能量，似乎不太靠譜 (2/642)	chenxin1992 2012-09-06	2012-09-07 11:52:33 by chenxin1992
	[MS] [已完結(jié)]Dmol3 運行失敗 (3/604)	huangshuang1 2012-08-27	2012-09-07 11:24:46 by 水晶螞蟻
	[MS] [已完結(jié)]不等價摻雜價態(tài)的確定 (0/748)	iamphfeng 2012-09-07	2012-09-07 11:12:24 by iamphfeng
	[MS] [已完結(jié)]哪位大俠幫一下小弟 (0/204)	夏小莫 2012-09-07	2012-09-07 10:31:41 by 夏小莫
	[MS] 【求助】castep計算聲子譜，為什么不能進行振動分析 (9/4121)	冰雨霧 2011-03-02	2012-09-07 09:22:26 by mhslee
	[MS] [已完結(jié)]castep 運行失敗 ( 1 2 ) (10/1120)	菲頂頂 2012-09-01	2012-09-06 21:21:59 by liutaifeng
	[MS] [已完結(jié)]關(guān)于態(tài)密度的單位。。。 (2/3877)	浩之輕揚 2012-09-06	2012-09-06 19:24:48 by 浩之輕揚
	[MS] [已完結(jié)]熱力學(xué)性質(zhì)的計算 (1/901)	fengshiquan 2012-09-05	2012-09-06 16:33:41 by fengshiquan
	[MS] [已完結(jié)]AgGaS2的CC相加壓下的能量計算 (3/421)	lyyzhangcong 2012-09-05	2012-09-05 23:42:33 by shmilylxc
	[MS] [已完結(jié)]finite temperature 怎么去理解？ (4/997)	浩之輕揚 2012-09-02	2012-09-05 21:29:22 by goldenfisher
	[MS] [已完結(jié)]CASTEP中的能帶隙怎么看的？ (7/2491)	浩之輕揚 2012-09-01	2012-09-05 11:53:13 by ted1277
	[MS] [已完結(jié)]MS是否可以計算鐵電性能 (1ST強帖+1)(7/2097)	yss2790 2011-05-04	2012-09-05 06:08:46 by gswylq
	[MS] [已完結(jié)]從ms里導(dǎo)出的坐標(biāo)還需要優(yōu)化嗎 (3/458)	707462558 2012-09-04	2012-09-04 23:04:40 by 飛行鳥
	[MS] [已完結(jié)]已知InI空間群，晶格參數(shù)，原胞內(nèi)原子坐標(biāo)，如何建模？ (0/412)	jay743 2012-09-04	2012-09-04 16:57:33 by jay743