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heechao

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28Â¥: Originally posted by janet2012222 at 2013-05-31 10:05:48
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31Â¥2013-06-06 17:18:08
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janet2012222

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31Â¥: Originally posted by heechao at 2013-06-06 17:18:08
ÄãµÄvasp¿ÉÄܲ»ÊÇ5.2ÒÔÉϵÄ...

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32Â¥2013-06-07 09:01:57
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675932406

Í­³æ (СÓÐÃûÆø)

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32Â¥: Originally posted by janet2012222 at 2013-06-07 09:01:57
ÎÒÓõÄVASPÊÇ5.2.12µÄ...

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33Â¥2014-06-04 11:23:30
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СС¾²

Í­³æ (СÓÐÃûÆø)

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25Â¥: Originally posted by Ëæ±ã×¢²á at 2013-03-29 08:57:00
TOTAL ELASTIC MODULI  --- 1
ELASTIC MODULI CONTR FROM IONIC RELAXATION --- 2
SYMMETRIZED SYMMETRIZED --- 3
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34Â¥2014-06-12 11:12:51
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xiaowenzhi16

Ìú¸Ëľ³æ (ÕýʽдÊÖ)

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26Â¥: Originally posted by janet2012222 at 2013-05-30 21:44:40
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35Â¥2014-09-13 18:50:43
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xiaowenzhi16

Ìú¸Ëľ³æ (ÕýʽдÊÖ)

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33Â¥: Originally posted by 675932406 at 2014-06-04 11:23:30
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NSW = 1 ¼ÓÉÏ
36Â¥2014-09-13 18:51:52
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yancui123

½ð³æ (СÓÐÃûÆø)

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4Â¥: Originally posted by condensed at 2012-05-24 01:23:37
Diamond:

INCAR:

SYSTEM = diamond
PREC = Accurate
ENCUT = 600.0
EDIFF = 1e-6
ISMEAR = 0
SIGMA = 0.05
POTIM = 0.100
LCHARG = FALSE
LWAVE = FALSE
IBRION=6
ISIF=3
NFREE=4
EDIFFG = 1e-5
...

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37Â¥2014-12-24 20:45:23
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yancui123

½ð³æ (СÓÐÃûÆø)

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9Â¥: Originally posted by future_wl at 2012-08-24 14:34:34
ÄãºÃ£¬ÇëÎÊNFREEÕâ¸ö²ÎÊýÓ¦¸ÃÈçºÎÉèÖ㬱ÈÈçÎÒÓÐÒ»¸ö16Ô­×ÓµÄÌåϵ£¬Õâ¸öÖµÓ¦¸ÃÈ¡¶àÉÙÄØ£¿¶àл£¡...

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38Â¥2014-12-24 20:47:10
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future_wl

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39Â¥2014-12-25 08:32:12
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yancui123

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