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	[MS] 【求助】客戶機和服務(wù)器用交叉網(wǎng)線連接可不可以？ (6/1044)	shuo2008 2010-09-05	2010-09-07 03:57:54 by frank178
[熱點]	070300化學(xué)學(xué)碩求調(diào)劑	太想進步了0608 2026-03-21	剛剛
	[Vasp&Me ] 【求助】如何用VASP計算計入應(yīng)變的缺陷形成能 (2/480)	bnliu 2010-09-01	2010-09-07 01:14:17 by icyspace
	[MS] 【求助】MS安裝怪事，哪位大俠能解決？ (3/505)	sunzhiguo 2010-09-05	2010-09-07 01:07:41 by o2615
	[其他] [關(guān)貼]【求助完畢】500金幣尋全套crystal09 程序，金幣可以再加 (5/611)	ice_rain 2010-09-06	2010-09-07 00:02:21 by smilemfc
	[熱點前沿 ] 【求助】何為第一性原理？？ (6/1572)	baitao-1987 2010-07-12	2010-09-06 23:17:46 by 宇宙思者
	[QE(Pwsc ] 【求助】請問誰有PWS比較詳細的教程？ (5/1248)	改王之王 2010-09-04	2010-09-06 22:24:00 by 改王之王
	[QE(Pwsc ] 【求助】基本概念的劃分 (3/1869)	byin 2010-05-06	2010-09-06 22:18:07 by 馬麗娟
	[MS] [關(guān)貼]【求助】PDOS在哪啊 (5/545)	guolianshun 2010-09-03	2010-09-06 21:46:02 by zhangjunkai
	[熱點前沿 ] 【求助】推薦幾個能算輸運性質(zhì)的開源軟件 (2/965)	燈塔守望者 2010-07-18	2010-09-06 21:45:17 by ifmc1234
	[Vasp&Me ] 【求助】vasp計算出現(xiàn)的問題 (0/427)	真實的自我 2010-09-05	2010-09-06 21:27:44 by 真實的自我
	[MS] 【求助】COSMO溶劑效應(yīng)問題 (0/668)	gyn1988 2010-09-05	2010-09-06 21:27:40 by gyn1988
	[MS] [關(guān)貼]【求助】誰能提供一些基團吸附晶體或者晶體便面的建模方法 (0/223)	guolianshun 2010-09-06	2010-09-06 21:27:30 by guolianshun
	[Vasp&Me ] 【求助】碳納米管硅橡膠分散度軟件 (0/474)	gzhao1980 2010-09-06	2010-09-06 21:27:26 by gzhao1980
	[QE(Pwsc ] 【求助】虛頻和軟模是一回事么？ ( 1 2 ) (19/3528)	identation 2010-04-25	2010-09-06 21:03:13 by ylli
	[QE(Pwsc ] 【求助】pwscf中關(guān)于bandgap的問題 (3/803)	zhuguomin1 2010-08-02	2010-09-06 20:44:45 by ylli
	[MS] 【求助】dos圖的縱坐標(biāo) 值怎么這么大-- (2/1576)	qqfly2003 2010-09-06	2010-09-06 20:28:25 by ylli
	[Vasp&Me ] 【求助】vasp計算光學(xué)性質(zhì) (2/868)	子虛烏有5388 2010-09-06	2010-09-06 19:19:39 by 子虛烏有5388
	[MS] 【求助】在MS-castep中ZrO2如何摻雜Y2O3 (2/378)	tmj523397981 2010-09-05	2010-09-06 19:00:22 by tmj523397981
	[Siesta& ] 【求助】一些關(guān)于atk中態(tài)密度分析的文獻 (1/416)	kaypu 2010-09-06	2010-09-06 18:55:24 by panjinbo87
	[Vasp&Me ] 【求助】關(guān)于+U方法的總能上的疑問 ( 1 2 ) (10/1608)	hadone 2009-09-29	2010-09-06 16:45:32 by zhang668
	[MS] 【已經(jīng)解決】一用優(yōu)化軟件對系統(tǒng)進行清理MS就不能用了 ( 1 2 ) (12/2079)	purewater2715 2010-09-02	2010-09-06 16:29:58 by wzftxw2009
	[MS] 【求助】用第一性原理計算熱膨脹系數(shù) (1/1320)	piao2004ha 2010-09-06	2010-09-06 16:29:29 by piao2004ha
	[MS] 【求助】CASTEP計算中的一些問題 (5/964)	zhanglx8632 2010-09-06	2010-09-06 16:27:59 by ym23
	[Siesta& ] 【求助】atk中態(tài)密度圖 (2/393)	kaypu 2010-08-23	2010-09-06 11:00:24 by gaottgougou
	[MS] 【求助】MS運算中需要虛擬網(wǎng)絡(luò)嗎 ( 1 2 ) (16/829)	guolianshun 2010-09-03	2010-09-05 23:57:29 by sidney_lz
	[MS] 【求助】PHONON (1/302)	Huanhuan5360 2010-09-05	2010-09-05 21:54:17 by ylli
	[MS] 【求助】linux下查看優(yōu)化的分子結(jié)構(gòu)的問題 (6/1545)	zhanping 2010-09-04	2010-09-05 21:13:39 by shuo2008
	[MS] 【求助】請教怎樣比較兩種不同構(gòu)型的能量哪種穩(wěn)定？？ (4/600)	zhuguomin1 2010-09-04	2010-09-05 20:54:15 by 王玉鵬
	[MS] 【求助】有序問題 (0/213)	江海寄余生 2010-09-05	2010-09-05 19:24:54 by 江海寄余生
	[Vasp&Me ] 【求助】計算能帶及態(tài)密度 (2/724)	小木蟲于 2010-09-05	2010-09-05 18:44:34 by sunyang1988
	[QE(Pwsc ] 【求助】zasr='simple'是什么意思 (1/2835)	zhl2967 2010-09-05	2010-09-05 18:13:28 by ylli
	[Vasp&Me ] 【求助】ISMEAR=0時，能量取哪個？ (1/1287)	zhang668 2010-09-04	2010-09-05 15:53:23 by cenwanglai
	[MS] 【求助】Materials-studio4.4安裝問題 (1/755)	ww1987 2010-09-04	2010-09-05 15:50:06 by cenwanglai
	[其他] 【其他】關(guān)于范德瓦爾斯力的理解 (2/484)	zjwangphy 2010-09-05	2010-09-05 15:35:25 by dxcharlary
	[Vasp&Me ] 【求助】態(tài)密度中6d貢獻部分丟失 (3/618)	txf8378 2010-09-03	2010-09-05 11:11:22 by fzx2008
	[Vasp&Me ] 【求助】vasp出錯，potcar (1/725)	zhaohuxian 2010-09-03	2010-09-05 08:39:04 by gfei2008
	[MS] 【求助】金屬釩（3d34s2）及合金的計算需要考慮電子自旋及+U么？ (3/1238)	鯉魚飛 2010-09-04	2010-09-04 22:08:34 by 鯉魚飛
	[熱點前沿 ] 【求助】富勒烯的文章什么雜志比較有權(quán)威 (6/733)	jianying8996 2010-09-03	2010-09-04 21:55:48 by steven_li
	[MS] 【求助】離子鍵和共價鍵的區(qū)分 ( 1 2 ) (17/4469)	enola 2010-07-19	2010-09-04 16:20:06 by meimeidyh
	[Abinit] 【求助】不會看.ddb文件和.gkk文件 (0/348)	學(xué)員UKbkc5 2010-09-04	2010-09-04 14:55:57 by xijinyang
	[MS] 【求助】從icsd到CASTEP出現(xiàn)的問題 (1/201)	gzhao1980 2010-09-04	2010-09-04 14:35:07 by fzx2008
	[MS] 【求助】CASTEP中結(jié)構(gòu)優(yōu)化和能帶計算可否同時進行？ ( 1 2 ) (10/3145)	freshman8185 2010-07-07	2010-09-04 13:51:33 by 鯉魚飛
	[其他] 【求助】請教反應(yīng)能壘的問題 (2/663)	lgxyz 2010-09-03	2010-09-04 13:46:13 by 夕陽西下
	[Vasp&Me ] 【求助】vasp的電子自洽和原子核優(yōu)化過程是否可以分開？ (4/1089)	yidiandian2703 2010-09-03	2010-09-04 10:21:16 by yidiandian2703
	[MS] [關(guān)貼]【求助】MS建模的錄像 (3/488)	guolianshun 2010-09-02	2010-09-04 10:07:08 by s20080718
	[MS] 【求助】第一性原理發(fā)論文，投什么期刊？ (8/2703)	shengfengyu 2010-07-23	2010-09-04 10:04:03 by s20080718
	[MS] 【求助】平面波贗勢方法PWP (5/1103)	guolianshun 2010-09-03	2010-09-03 22:25:22 by fzx2008
	[其他] 【求助】請問計算石墨烯的有關(guān)性質(zhì)一般采用什么軟件 (3/619)	hanson260 2010-09-03	2010-09-03 20:26:00 by 夕陽西下
	[Vasp&Me ] 【求助】真空層厚度的如何設(shè)置 (金幣≥10)(7/89)	真實的自我 2010-09-02	2010-09-03 19:43:30 by ice_rain
	[MS] 【已解決】MS服務(wù)器與客戶端連接問題 (8/1478)	sikasun 2010-08-30	2010-09-03 19:39:40 by shuo2008
	[Siesta& ] 【求助】vnl中NanoLanguage Scripter里的Geometric Constraints怎么設(shè)置 (1/321)	chyuhang 2010-09-02	2010-09-03 17:55:44 by fan159
	[QE(Pwsc ] 【求助】pwscf的若干問題 (4/1272)	enola 2010-08-31	2010-09-03 16:17:13 by enola
	[QE(Pwsc ] 【求助】計算態(tài)密度步驟是否有問題？？ (3/955)	zhuguomin1 2010-08-24	2010-09-03 16:08:56 by zhuguomin1
	[MS] 【求助】請教能量最小化問題模擬退火與幾何優(yōu)化 (8/2178)	mophyworld 2009-11-24	2010-09-03 15:28:34 by xk6891
	[MS] [關(guān)貼]【求助】DMO13運算失敗 (4/767)	guolianshun 2010-09-02	2010-09-03 13:40:09 by Eversong
	[MS] 【求助】有限長和無限長納米管的能隙 (1/293)	lovepei 2010-09-03	2010-09-03 11:08:24 by lovepei
	[MS] 【求助】關(guān)于固溶度計算 (0/393)	liujie1003 2010-09-03	2010-09-03 10:13:48 by liujie1003
	[Vasp&Me ] 【求助】單機多核用vasp NEB做過渡態(tài) 可行嗎？ (5/912)	lgxyz 2010-09-02	2010-09-03 10:06:19 by hgye
	[MS] 【求助】MS5.0 運行問題 (6/1233)	dyk325 2010-09-01	2010-09-03 09:56:25 by purewater2715
	[QE(Pwsc ] 【求助】為什么我計算又出錯？？？？？ (3/467)	zhuguomin1 2010-08-29	2010-09-02 22:56:34 by lono75
	[MS] 【求助已解決！】用客戶端服務(wù)器運行程序！提交任務(wù)后沒有計算！ (9/1740)	shuo2008 2010-09-02	2010-09-02 20:10:45 by shuo2008
	[其他] [關(guān)貼]【誠聘版主】第一性原理版歡迎您的加入 (評閱+10) (金幣≥500)(3/112)	wuli8 2010-08-31	2010-09-02 19:05:36 by 163.com
	[MS] [關(guān)貼]【原創(chuàng)】對模型加約束 (評閱-2) (1/259)	jphuang_63 2010-09-02	2010-09-02 18:22:04 by lzl8181
	[Abinit] 【求助】abinit 贗勢 (7/1518)	zxling 2010-08-19	2010-09-02 17:30:42 by fzx2008
	[MS] 【求助】請教能帶讀取基本知識 (5/1233)	眉峰 2010-09-01	2010-09-02 13:38:30 by yangkunspace
	[Abinit] 【求助】ABINIT如何減少內(nèi)存使用量？ (4/743)	mazuju028 2010-08-26	2010-09-02 11:39:57 by lzl8181
	[MS] [關(guān)貼]【求助】CASTEP和DMO13區(qū)別 (1/348)	guolianshun 2010-09-02	2010-09-02 11:29:17 by lzl8181
	[MS] 【求助】MS能否調(diào)出個物質(zhì)然后得到他的XRD圖 (4/937)	freshman8185 2010-07-23	2010-09-02 11:28:43 by bishy
	[Vasp&Me ] 【其他】VASP5.2的雜化泛函計算速度如何？ (3/1636)	jglee646 2010-09-02	2010-09-02 11:23:47 by stractor
	[Vasp&Me ] 【求助】ＶＣＡ和ＳＣＰＡ的區(qū)別 (1/2805)	marsdoing 2010-01-06	2010-09-02 11:21:53 by 25351048
	[QE(Pwsc ] 【求助】我的能帶很特殊嗎？？ (7/717)	zhuguomin1 2010-08-31	2010-09-02 11:16:06 by wenjlu
	[Vasp&Me ] 【求助】如何畫分波態(tài)密度和能帶圖急 (金幣≥20)(9/237)	zengchangan 2010-08-21	2010-09-02 11:10:02 by aray1577
	[MS] 【求助】CASTEP中的3D模型沒有反應(yīng) (2/482)	wwgaochao 2010-07-16	2010-09-02 11:01:26 by guolianshun
	[MS] 【求助】初學(xué)者該從哪里入門？？？ ( 1 2 ) (12/2271)	wwgaochao 2010-06-22	2010-09-02 11:01:12 by wuli8
	[MS] 【求助】創(chuàng)騰公司網(wǎng)站上MS各模塊文獻分類 (7/837)	wanglianli136 2010-07-16	2010-09-02 10:46:35 by guolianshun
	[MS] 【求助】非金屬摻雜也需要設(shè)置自旋？ ( 1 2 ) (14/1787)	carlaty 2010-07-17	2010-09-02 10:40:09 by guolianshun
	[MS] 【求助】優(yōu)化結(jié)構(gòu)時應(yīng)怎么調(diào)整參數(shù)避免失�。� (3/711)	gongjijun 2010-07-22	2010-09-02 10:37:36 by guolianshun
	[MS] 【分享】Materials Studio 5.0 - Update 1 ( 1 2 ) (評閱+5) (13/2605)	cmwangdft 2010-05-07	2010-09-02 10:13:58 by guolianshun
	[MS] 【求助】求教CO 吸附氧化鋅 100面都有那些吸附位 (1/307)	amywj 2010-07-21	2010-09-02 10:10:12 by guolianshun
	[MS] 【求助】在MS中進行結(jié)構(gòu)優(yōu)化時提示Failure-completed (3/2563)	jiangxljnp 2010-07-23	2010-09-02 09:50:06 by guolianshun
	[熱點前沿 ] 【求助】建模：如何把兩種材料拼起來 (3/813)	vaspstudy 2010-08-28	2010-09-02 09:28:00 by guolianshun
	[Vasp&Me ] 【求助】p4vasp作圖的能量零點是如何定義的 (9/1442)	vaspstudy 2010-08-27	2010-09-02 07:33:43 by ylli
	[MS] 【求助】ms5.0怎么安裝隊列 (4/516)	pashanhu105 2010-08-30	2010-09-01 20:10:22 by bluewhale
	[MS] [關(guān)貼]【求助】MS幫助有漢語版的嗎 (2/259)	guolianshun 2010-09-01	2010-09-01 20:10:09 by dxcharlary
	[Vasp&Me ] 【求助】關(guān)于vasp能量 (5/1110)	lgxyz 2010-08-30	2010-09-01 19:56:48 by dxcharlary
	[MS] 【求助】reaction energy和 adsorption energy的區(qū)別 (6/1215)	liujie5631 2010-08-30	2010-09-01 19:16:26 by luoqiquan
	[Vasp&Me ] 【求助】vasp計算原子間成鍵情況 (3/1413)	quby7503 2010-09-01	2010-09-01 18:58:41 by study163
	[MS] 【求助】關(guān)于布局分析 (4/672)	05111034 2010-08-28	2010-09-01 17:09:14 by 有目標(biāo)有希望
	[MS] 【求助】請教帶隙問題 (4/481)	meimeinn 2010-08-19	2010-09-01 16:23:09 by guolianshun
	[MS] 【求助】CO氧化反應(yīng)的反應(yīng)熱怎么算 (1/682)	liujie5631 2010-09-01	2010-09-01 15:40:09 by fanchen021
	[MS] 【求助】MS中哪種格式的文件能導(dǎo)入到tecplot軟件中？ (0/149)	freshman8185 2010-09-01	2010-09-01 15:39:24 by freshman8185
	[MS] 【求助】優(yōu)化結(jié)構(gòu)前后，怎么看原子移動多少 ( 1 2 ) (11/1597)	jdy19862002 2010-08-24	2010-09-01 15:29:19 by guolianshun
	[MS] 【求助】Mo2C的建模 (2/278)	liuhongge1 2010-09-01	2010-09-01 14:40:27 by longchang
	[Wien2k& ] 【求助】非共線磁性計算采用什么軟件比較好 (0/652)	quby7503 2010-09-01	2010-09-01 14:38:31 by quby7503
	[MS] 【求助】非共線磁性計算采用什么軟件比較好 (0/258)	quby7503 2010-09-01	2010-09-01 14:33:59 by quby7503
	[Vasp&Me ] 【求助】關(guān)于MAGMOM的優(yōu)化 (3/965)	txf8378 2010-08-31	2010-09-01 13:06:17 by valenhou001
	[MS] 【求助】d帶中心及填充率的問題 (2/660)	pingping6396 2010-08-31	2010-09-01 09:01:38 by cenwanglai
	[MS] 【求助】哪位大俠能給個可用的ms4.2win的鏈接？ (4/456)	stewart1922 2010-08-31	2010-09-01 08:41:45 by stewart1922
	[MS] 【求助成功】castep 計算失敗問題 (6/664)	ssyssyssy 2010-08-31	2010-09-01 08:36:16 by ssyssyssy
	[MS] 【求助】castep計算 (6/1057)	ssyssyssy 2010-08-31	2010-09-01 08:26:56 by chensxxy