±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 2865  |  »Ø¸´: 9

ССÐÇplz

Ö÷¹ÜÇø³¤

ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡

[ÇóÖú] VASP×ö¾²Ì¬×ÔǢʱÁ¦²»ÊÕÁ² ÒÑÓÐ4È˲ÎÓë

ÇóÖú£¡£¡£¡×öÎü¸½¹¹ÐÍÓÅ»¯µÄʱºò£¬ÒѾ­ÊÕÁ²µÄºÃºÃµÄÁË£¬½á¹ûÓþ²Ì¬×ÔÇ¢ËãÄÜÁ¿Ê±Ô­±¾ÊÕÁ²µÄÁ¦ÓÖ²»ÊÕÁ²ÁË¡­¡­ÕâÊÇΪʲô£¿Ôõô½â¾ö°¡£¿
SYSTEM = SiO2-OH-no2
ISTART = 0
ICHARG = 2
PREC=Normal
LREAL = .F.
IBRION = -1
ISIF= 2
NSW = 0
POTIM = 0.3
EDIFFG = -0.01
ENCUT = 400 eV
NELM = 60
EDIFF = 0.1E-04
LCHARG = .T.
LWAVE = .T.
ISMEAR = -5
SIGMA = 0.2
ALGO = Fast
NPAR = 4
»Ø¸´´ËÂ¥
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

СūÁ¥

¹ÜÀíÔ±

ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
ɾ³ýIBRIONºÍISIFÊÔÊÔ¡­¡­

·¢×ÔСľ³æAndroid¿Í»§¶Ë
2Â¥2017-06-19 22:19:50
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

δ°¶ÍöÁé

³¬¼¶°æÖ÷

ÔÝʱÀ뿪Сľ³æ

ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡


¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
ÒýÓûØÌû:
2Â¥: Originally posted by СūÁ¥ at 2017-06-19 22:19:50
ɾ³ýIBRIONºÍISIFÊÔÊÔ¡­¡­

ÎÒÈ¥£¬Ï¹½¨Ò飬¼ø¶¨Íê±Ï
3Â¥2017-06-20 06:13:33
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ССÐÇplz

ר¼Ò¹ËÎÊ

ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡

ÒýÓûØÌû:
3Â¥: Originally posted by δ°¶ÍöÁé at 2017-06-20 06:13:33
ÎÒÈ¥£¬Ï¹½¨Ò飬¼ø¶¨Íê±Ï...

ÓÐʲô½¨Òéô£¬ÄãÃÇûÅöµ½¹ýÕâÖÖÇé¿öô£¿
4Â¥2017-06-20 10:52:53
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ССÐÇplz

¹ÜÀíÔ±

ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡

ÒýÓûØÌû:
2Â¥: Originally posted by СūÁ¥ at 2017-06-19 22:19:50
ɾ³ýIBRIONºÍISIFÊÔÊÔ¡­¡­

°¡£¬ÕâÁ½²ÎÊý²»ÄÜɾ°É
5Â¥2017-06-20 10:54:22
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

nfer

¹ÜÀíÔ±

ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
ССÐÇplz(µ°µ°Ð¡Í¯Ð¬´ú·¢): ½ð±Ò+2, лл²ÎÓ룬Сľ³æ¹ÄÀø»ý¼«»Ø´ðÎÊÌâÕß 2017-06-21 08:59:11
¿´¿´ËµÃ÷Ê飬µ÷ÕûÒ»ÏÂSmear¿´¿´

[ ·¢×ÔÊÖ»ú°æ http://muchong.com/3g ]
6Â¥2017-06-20 11:11:41
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

zyqh

¶Ò»»¹ó±ö

ÒýÓûØÌû:
3Â¥: Originally posted by δ°¶ÍöÁé at 2017-06-20 06:13:33
ÎÒÈ¥£¬Ï¹½¨Ò飬¼ø¶¨Íê±Ï...

+1
7Â¥2017-06-20 13:50:58
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

zyqh

°æÖ÷

ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
ССÐÇplz(µ°µ°Ð¡Í¯Ð¬´ú·¢): ½ð±Ò+2, лл²ÎÓ룬Сľ³æ¹ÄÀø»ý¼«»Ø´ðÎÊÌâÕß 2017-06-21 08:59:20
µç×Ó²½²»ÄÜÊÕÁ²£¬Â¥Ö÷ÊÔϰÑNELM = 60µ÷´óһЩ£¬Èõç×Ó¶àÊÕÁ²¼¸²½¡£
ÁíÍâ°ÑÄÜÁ¿ºÍÁ¦µÄÊÕÁ²±ê×¼µ÷µÍ£¬Ò»°ã²»ÐèÒªÄÇô¸ß¡£
Óêºó·½Äܼû²Êºç
8Â¥2017-06-20 13:52:17
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ССÐÇplz

³¬¼¶°æÖ÷

ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡

ÒýÓûØÌû:
8Â¥: Originally posted by zyqh at 2017-06-20 13:52:17
µç×Ó²½²»ÄÜÊÕÁ²£¬Â¥Ö÷ÊÔϰÑNELM = 60µ÷´óһЩ£¬Èõç×Ó¶àÊÕÁ²¼¸²½¡£
ÁíÍâ°ÑÄÜÁ¿ºÍÁ¦µÄÊÕÁ²±ê×¼µ÷µÍ£¬Ò»°ã²»ÐèÒªÄÇô¸ß¡£

ÊÔÁËÏ£¬£¬µç×Ó²½µ÷´óÁËҲûÓ㬰¥£¬µ½µ×ÊÇÔõô»ØÊÂÄØ
9Â¥2017-06-20 17:28:15
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

zhaozecheng

¹ÜÀíÔ±

ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡

ÊDz»ÊÇ¿ÉÒÔ»»³ÉÄÜÁ¿µÄ£¬²»ÓøºÊýµÄ

·¢×ÔСľ³æAndroid¿Í»§¶Ë
×Ô´ÓµÃÁËÉñ¾­²¡£¬È˾«ÉñÁ˺öࡣ
10Â¥2017-06-20 21:43:53
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ ССÐÇplz µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] »·¾³¹¤³Ì297·ÖÇóµ÷¼ÁÒ»Ö¾Ô¸º¼¸ßÔº +10 GENJIOW 2026-03-31 10/500 2026-04-01 01:30 by 1018329917
[¿¼ÑÐ] 070300»¯Ñ§×¨Òµ279µ÷¼Á +10 ¹þ¹þ¹þ^_^ 2026-03-31 10/500 2026-03-31 23:13 by liu823948201
[¿¼ÑÐ] ¿¼ÑвÄÁϹ¤³Ì351·Öµ÷¼Á +4 Õû¸öºÃµÄ 2026-03-31 4/200 2026-03-31 19:36 by ÄÑ0121
[¿¼ÑÐ] 284Çóµ÷¼Á +9 СÐÜ¡«¡« 2026-03-31 9/450 2026-03-31 18:22 by 253863592
[¿¼ÑÐ] 080500-315·Ö¸´ÊÔµ÷¼Á +9 Éϰ¶3821 2026-03-31 9/450 2026-03-31 17:29 by ÌÆãå¶ù
[¿¼ÑÐ] ¿¼Ñе÷¼ÁÇóÖú +7 13287130938 2026-03-31 7/350 2026-03-31 16:39 by 690616278
[¿¼ÑÐ] Ò»Ö¾Ô¸Äϲý´óѧ324Çóµ÷¼Á +6 hanamiko 2026-03-30 6/300 2026-03-31 12:19 by ÌÆãå¶ù
[¿¼ÑÐ] 085600²ÄÁÏÓ뻯¹¤µ÷¼Á +16 kikiki7 2026-03-30 16/800 2026-03-31 10:03 by ÂÈ»¯ÑÇÏõõ£
[¿¼ÑÐ] 282Çóµ÷¼Á +3 ºôÎü¶¼ÊǼõ·Ê 2026-03-31 3/150 2026-03-31 10:00 by wangjy2002
[¿¼ÑÐ] Ò»Ö¾Ô¸Öк£Ñó320»¯Ñ§¹¤³ÌÓë¼¼Êõѧ˶Çóµ÷¼Á +8 ÅûÐÇºÓ 2026-03-30 8/400 2026-03-31 08:53 by lbsjt
[¿¼ÑÐ] 08¹¤¿ÆÇóµ÷¼Á286 +5 tgs_001 2026-03-28 5/250 2026-03-31 08:18 by Ò»Ö»ºÃ¹û×Ó?
[¿¼ÑÐ] 085601Ò»Ö¾Ô¸Î÷±±¹¤Òµ´óѧ³õÊÔ346 +4 085601³õÊÔ346 2026-03-30 4/200 2026-03-31 07:47 by jp9609
[¿¼ÑÐ] 303Çóµ÷¼Á +7 DLkz1314. 2026-03-30 7/350 2026-03-30 21:07 by peike
[¿¼ÑÐ] 324Çóµ÷¼Á +9 hanamiko 2026-03-26 11/550 2026-03-30 14:27 by JourneyLucky
[¿¼ÑÐ] »·¾³¿ÆÑ§Ó빤³Ì334·ÖÇóµ÷¼Á +6 ÍõÒ»Ò»ÒÀÒÀ 2026-03-30 8/400 2026-03-30 11:52 by yjolah
[¿¼ÑÐ] Ò»Ö¾Ô¸ÖÐÄÏ´óѧ»¯Ñ§0703×Ü·Ö337Çóµ÷¼Á +6 niko- 2026-03-27 6/300 2026-03-30 10:25 by herarysara
[¿¼ÑÐ] 318Ò»Ö¾Ô¸¼ªÁÖ´óѧÉúÎïÓëÒ½Ò© Çóµ÷¼Á +5 óÆÐÐÖÂÔ¶. 2026-03-28 5/250 2026-03-30 06:56 by ilovexiaobin
[¿¼ÑÐ] 070305¸ß·Ö×Ó»¯Ñ§ÓëÎïÀí 304·ÖÇóµ÷¼Á +12 c297914 2026-03-28 12/600 2026-03-29 16:21 by Serene1974
[¿¼ÑÐ] 292Çóµ÷¼Á +4 ÇóÇóÁËÊÕÏÂÎÒ°É£ 2026-03-26 4/200 2026-03-27 10:37 by zhshch
[¿¼ÑÐ] 081200-11408-276ѧ˶Çóµ÷¼Á +3 ´Þwj 2026-03-26 3/150 2026-03-26 19:57 by nihaoar
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û