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g_xq96銀蟲 (小有名氣)
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【求助】請(qǐng)高手幫忙看看! 已有6人參與
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算一個(gè)任務(wù),顯示如下內(nèi)容。請(qǐng)大蟲指點(diǎn)迷津! Job started on host PC-201003171713 at Tue Apr 20 10:56:19 2010 +-------------------------------------------------+ | | | CCC AA SSS TTTTT EEEEE PPPP | | C A A S T E P P | | C AAAA SS T EEE PPPP | | C A A S T E P | | CCC A A SSS T EEEEE P | | | +-------------------------------------------------+ | | | Welcome to Materials Studio CASTEP version 4.4 | | Ab Initio Total Energy Program | | | | Authors: | | M. Segall, M. Probert, C. Pickard, P. Hasnip, | | S. Clark, K. Refson, M. Payne | | | | Contributors: | | P. Lindan, P. Haynes, J. White, V. Milman, | | N. Govind, M. Gibson, P. Tulip, V. Cocula, | | B. Montanari, D. Quigley, M. Glover, | | L. Bernasconi, A. Perlov, M. Plummer | | | | Copyright (c) 2000 - 2008 | | | | Please cite | | | | "First principles methods using CASTEP" | | | | Zeitschrift fuer Kristallographie | | 220(5-6) pp. 567-570 (2005) | | | | S. J. Clark, M. D. Segall, C. J. Pickard, | | P. J. Hasnip, M. J. Probert, K. Refson, | | M. C. Payne | | | | in all publications arising from | | your use of CASTEP | | | +-------------------------------------------------+ This version was compiled for win32 on Nov 14 2008 License checkout of MS_castep successful Pseudo atomic calculation performed for C 2s2 2p2 Converged in 17 iterations to a total energy of -145.6516 eV Out of RAM for coeffs in wave_allocate_wv Current trace stack: wave_allocate_wv model_initialise castep [ Last edited by g_xq96 on 2010-4-20 at 11:13 ] |


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