Znn3bq.jpeg
±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 3867  |  »Ø¸´: 20

hisap-nano

гæ (ÕýʽдÊÖ)

[ÇóÖú] ×ö²ÄÁÏÁ¦Ñ§ÐÔÄÜÑо¿ÊÇÓÃvaspºÃ»¹ÊÇab initio ºÃ°¡£¿£¡

×î½üÀϰå¶Ô²ÄÁÏÁ¦Ñ§ÐÔÄܵÄÄ£Äâ¼ÆËã·Ç³£¸ÐÐËȤ£¬Ñ§Ð£µÄ·þÎñÆ÷ÉÏ×°ÁËvasp ºÍ ab initio£¬²»ÖªµÀÓÃÄÄÒ»¸ö¸üÊʺϣ¿£¡Çë¸ßÊÖ¸øµã½¨Ò飬ÏÈлÁË£¡
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹ØÉ̼ÒÍÆ¼ö: (ÎÒÒ²ÒªÔÚÕâÀïÍÆ¹ã)

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
»ØÌûÖ§³Ö ( ÏÔʾ֧³Ö¶È×î¸ßµÄǰ 50 Ãû )

vdmzsfj

Òø³æ (ÖøÃûдÊÖ)

¡ï ¡ï
youzhizhe(½ð±Ò+2): лл½»Á÷¡£ 2011-11-10 09:51:13
×öÁ¦Ñ§ÐÔÖʵϰÍƼö¿´¿´ÕâÆªÎÄÕ£¬»òÐíÄܶÔÄúÓÐÓã¡
Acta Materialia
Volume 59, Issue 4, February 2011, Pages 1742-1760
http://www.sciencedirect.com/sci ... i/S1359645410007962
9Â¥2011-10-28 19:29:18
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

souledge

ר¼Ò¹ËÎÊ (ÖøÃûдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï
hisap-nano(½ð±Ò+2): 2011-10-27 13:42:38
youzhizhe(½ð±Ò+1): лл½»Á÷¡£ 2011-10-27 23:35:11
youzhizhe: лл½»Á÷¡£ÒѼÆÈëר¼Ò¿¼ºË´æµµ¡£ 2011-10-27 23:35:21
=.= VASPÊÇAb-initioµÄÒ»ÖÖ¡­¡­
˼ÏëÖØÓÚ¼¼ÇÉ£¬ÄÚº­ÖØÓÚ±íÏó
2Â¥2011-10-27 10:32:25
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

fzx2008

ÈÙÓþ°æÖ÷ (ÖøÃûдÊÖ)

ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷

¡ï
youzhizhe(½ð±Ò+1): лл½»Á÷¡£ÒѼÆÈëר¼Ò¿¼ºË´æµµ¡£ 2011-10-27 23:35:42
×¢Ò⣬Èí¼þÃû³ÆÊÇABINIT£¬¿ªÔ´Ãâ·ÑÈí¼þ
6Â¥2011-10-27 19:55:01
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
ÆÕͨ»ØÌû

souledge

ר¼Ò¹ËÎÊ (ÖøÃûдÊÖ)

¡ï ¡ï
youzhizhe(½ð±Ò+2): лл½»Á÷¡£ÒѼÆÈëר¼Ò¿¼ºË´æµµ¡£ 2011-10-27 23:35:32
˳±ã£¬²ÄÁÏÁ¦Ñ§µÄ»°£¬»¹ÊÇÓÐÏÞÔª±È½ÏºÃ£¬Ab-initioµÃµ½µÄ¶«Î÷Óеã¹ý·ÖÀíÏë»òÕß¹ý·ÖÀíÂÛ£¬ÄãÀϰåÈç¹ûÊÇ´¿´â¹¤¿Æ±³¾°²¢ÇÒ¹¤¿Æ¿ÎÌâµÄ£¬¹À¼ÆºÜÄÑÀí½âab-initio£¬²¢ÇÒ¿ÉÄÜ»¹»áÒÔ×Ô¼ºµÄ¹¤¿ÆË¼Î¬Òýµ¼´íÎóµÄ·½Ïò¡­¡­
˼ÏëÖØÓÚ¼¼ÇÉ£¬ÄÚº­ÖØÓÚ±íÏó
3Â¥2011-10-27 10:33:50
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

hisap-nano

гæ (ÕýʽдÊÖ)

˵µÄÓеÀÀí£¬Àϰå×Ô¼ººÃÏñ²»ÔõôÇå³þ£¬Ñ§Ð£¼ÆËãÖÐÐÄ˵ÊÇÓÃvaspµÄ»°Òª×Ô¼ºÂòlicense£¬ab initio µÄ»°Ö»ÒªÔÚ¼ÆËãÖÐ×¢²áÒ»¸öÓû§¾ÍÐС£ÆäʵÎÒ²»ÖªµÀµÄÊÇÕâÁ½¸öÈí¼þÄǸöÓÃÆðÀ´¸ü·½±ãÒ»µã£¿ºÇºÇ£¬ËµÊµÔÚµÄÎÒÒÔǰֻÊÇÓÃMS×ö¹ýһЩ¼òµ¥µÄÄ£Äâ¡£
4Â¥2011-10-27 13:42:12
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

xdr

½ð³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
4Â¥: Originally posted by hisap-nano at 2011-10-27 13:42:12:
˵µÄÓеÀÀí£¬Àϰå×Ô¼ººÃÏñ²»ÔõôÇå³þ£¬Ñ§Ð£¼ÆËãÖÐÐÄ˵ÊÇÓÃvaspµÄ»°Òª×Ô¼ºÂòlicense£¬ab initio µÄ»°Ö»ÒªÔÚ¼ÆËãÖÐ×¢²áÒ»¸öÓû§¾ÍÐС£ÆäʵÎÒ²»ÖªµÀµÄÊÇÕâÁ½¸öÈí¼þÄǸöÓÃÆðÀ´¸ü·½±ãÒ»µã£¿ºÇºÇ£¬ËµÊµÔÚµÄÎÒÒÔǰֻÊÇÓà ...

ÓÃmsÄ£Äâ²ÄÁϵÄÁ¦Ñ§ÐÔÄÜÂð£¿Çë½Ì£¬ÄãÓõÄÊÇʲôģ¿é£¬¿ÉÒÔ˵ÏÂÂð£¿
5Â¥2011-10-27 19:20:29
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

sars518

ľ³æ (ÖøÃûдÊÖ)

Сľ³æ¹àË®´ó¶Ó¶Ó³¤

¡ï ¡ï
youzhizhe(½ð±Ò+2): лл½»Á÷¡£ 2011-10-27 23:35:57
ÄÚÈÝÒÑɾ³ý

» ±¾ÌûÒÑ»ñµÃµÄºì»¨£¨×îÐÂ10¶ä£©

xdr
ÈËÉúÊÇÒ»³¡ÂÃÐУ¬ÔÚÐÀÉÍ·ç¾°µÄͬʱ£¬±ðÍüÁËÄãÒ²ÊDZðÈ˵ķ羰¡£
7Â¥2011-10-27 21:22:29
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

xdr

½ð³æ (ÕýʽдÊÖ)

ËÍÏÊ»¨Ò»¶ä
ÄÚÈÝÒÑɾ³ý
8Â¥2011-10-28 09:15:46
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

hisap-nano

гæ (ÕýʽдÊÖ)

·Ç³£¸Ðл£¬ÕâÆªÎÄÕÂÌ«ÓÐÓÃÁË£¡£¡£¡
10Â¥2011-10-28 22:34:56
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ hisap-nano µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 0703»¯Ñ§µ÷¼Á 348·Ö +10 °¦ÎÒ³¬ÕæÃ»ÕÐÁË 2026-04-06 10/500 2026-04-08 00:45 by JourneyLucky
[¿¼ÑÐ] 327Çóµ÷¼Á +6 Xxjc1107. 2026-04-06 6/300 2026-04-08 00:27 by JourneyLucky
[¿¼ÑÐ] »¯Ñ§308·ÖÇóµ÷¼Á +14 ÄãºÃÃ÷ÌìÄãºÃ 2026-04-07 16/800 2026-04-07 23:09 by JourneyLucky
[¿¼ÑÐ] 070300»¯Ñ§Ñ§Ë¶311·ÖÇóµ÷¼Á +16 Áº¸»¹óÏÕÖÐÇó 2026-04-04 17/850 2026-04-07 22:11 by lijunpoly
[¿¼ÑÐ] 326Çóµ÷¼Á +5 9ahye 2026-04-02 6/300 2026-04-07 21:37 by lijunpoly
[¿¼ÑÐ] 280Çóµ÷¼Á +7 Àîrien 2026-04-04 7/350 2026-04-07 17:33 by À¶ÔÆË¼Óê
[¿¼ÑÐ] ÉúÎ﹤³ÌÇóµ÷¼Á +13 ϲ»¶»¹ÊDz»¸ÊÐÄ 2026-04-05 13/650 2026-04-07 16:55 by Ecowxq666£¡
[¿¼ÑÐ] ²ÄÁÏ¿¼ÑÐÇóµ÷¼Á×Ü·Ö280 +23 mkjlz1 2026-04-06 26/1300 2026-04-07 15:58 by °¡¿¡£¡
[¿¼ÑÐ] ¿¼Ñе÷¼Á +3 WwwwwwwÍÛ 2026-04-06 3/150 2026-04-06 20:55 by lbsjt
[¿¼ÑÐ] 301Çóµ÷¼Á +7 ϸ°ûÏà¹Øµ°°× 2026-04-03 7/350 2026-04-06 11:47 by lijunpoly
[¿¼ÑÐ] 0857´óÀà»·¾³¹¤³ÌBÇøÇóµ÷¼Á +3 ¹¨ÓíÃú 2026-04-05 3/150 2026-04-06 10:22 by À¶ÔÆË¼Óê
[¿¼ÑÐ] ²ÄÁÏר˶283Çóµ÷¼Á +17 ÊÔÊÔ¿´ß 2026-04-04 18/900 2026-04-06 09:24 by 286640313
[¿¼ÑÐ] ²ÄÁÏר˶322·Ö +11 ¹þ¹þ¹þºðºðºð¹þ 2026-04-02 11/550 2026-04-04 23:37 by ÓÀ×ÖºÅ
[¿¼ÑÐ] Äܶ¯µ÷¼Á326ר˶ +4 wan112233 2026-04-04 4/200 2026-04-04 22:47 by yu221
[¿¼ÑÐ] ±¾¿Æ211£¬×¨Òµ085404£¬293·ÖÇëÇóµ÷¼Á +5 Á«²Ë¾ÍÊÇź°É 2026-04-04 5/250 2026-04-04 14:08 by ÕâÊÇÒ»¸öÎÞÁĵÄê
[¿¼ÑÐ] 280Çóµ÷¼Á +21 ¹¾ààÏþÏþ 2026-04-02 22/1100 2026-04-04 11:12 by Öí»á·É
[¿¼ÑÐ] µ÷¼Á +5 asdasdassda 2026-04-03 6/300 2026-04-03 20:27 by °¶ÉϵÄÒ»ÌõÓã
[¿¼ÑÐ] 275ѧ˶081000·þ´Óµ÷¼Áµ½ÆäËûרҵ£¬±£²»×¡±¾×¨ÒµÁË +7 һֻССˮţ 2026-04-02 8/400 2026-04-02 14:23 by alice-2022
[¿¼ÑÐ] 353Çóµ÷¼Á +4 À­¹³²»Ðí±ä 2026-04-01 4/200 2026-04-01 18:10 by ¼Çʱ¾2026
[¿¼ÑÐ] 318Çóµ÷¼Á +8 ÆßÒä77 2026-04-01 8/400 2026-04-01 10:37 by Jaylen.
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û