±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 1867  |  »Ø¸´: 6

israelxi

½ð³æ (СÓÐÃûÆø)

[ÇóÖú] DFTBÔÚGaussianÖеÄʹÓ÷½·¨

Çë½ÌDFTB¸ßÊÖ£º
ÔÚlinuxºÍwindows»·¾³Ï£¬Í¨¹ýgaussianÖÐÖ´ÐÐDFTB¼ÆË㣬Slater-KosterÎļþ: @GAUSS_EXEDIR:dftba.prm
Ó¦¸Ã·ÅÔÚʲô·¾¶Ï£¿ÈçºÎÉèÖã¿

[ Last edited by zhou2009 on 2012-1-17 at 20:29 ]
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

agent99

½û³æ (ÕýʽдÊÖ)

Îﻯ³ÌÐòÔ³

°ï¶¥Ò»Ï£¬ÆÚ´ý¸ßÊÖ½â´ð
ÀíÂÛÓë¼ÆË㻯ѧ£¬»¯Ñ§ÎïÀí£¬ÉúÎïÎïÀí
2Â¥2012-01-18 08:15:23
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

israelxi

½ð³æ (СÓÐÃûÆø)

лл£¬ÆÚ´ý¸ßÊÖ£¡
3Â¥2012-01-18 21:46:21
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

israelxi

½ð³æ (СÓÐÃûÆø)

ÆÚ´ý¸ßÊÖ½â´ð
4Â¥2012-01-19 08:10:53
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

askywolf

½ð³æ (СÓÐÃûÆø)

ͬÆÚ´ý¸ßÊÖ
5Â¥2012-02-14 16:48:53
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

172304

Ìú³æ (СÓÐÃûÆø)

¸ßÊÖÇë²»ÁߴͽÌѽ
6Â¥2012-03-20 16:42:47
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

jesute

Òø³æ (ÕýʽдÊÖ)

7Â¥2012-06-08 12:39:50
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ israelxi µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] ²ÄÁϵ÷¼Á +7 Ò»ÑùYWY 2026-04-05 8/400 2026-04-05 21:20 by ѧԱ8dgXkO
[¿¼ÑÐ] 288Çóµ÷¼Á Ò»Ö¾Ô¸¹þ¹¤´ó ²ÄÁÏÓ뻯¹¤ +13 ÂåÉñ¸ç¸ç 2026-04-03 13/650 2026-04-05 17:27 by zzx2138
[¿¼ÑÐ] 275Çóµ÷¼Á +16 waltzh 2026-04-01 16/800 2026-04-05 17:14 by Hdyxbekcb
[¿¼ÑÐ] ÇóÉúÎïѧѧ˶µ÷¼Á¡ª¡ª364·Ö +7 ÔÆ¶äåÞÍäÖ¸ÄÏ 2026-04-04 7/350 2026-04-04 22:49 by zhyzzh
[¿¼ÑÐ] 286Çóµ÷¼Á +3 ²Ýľ²»ÑÔ 2026-04-04 3/150 2026-04-04 22:40 by lbsjt
[¿¼ÑÐ] 323Çóµ÷¼Á +8 Àî¼ÑÀÖ1 2026-04-04 8/400 2026-04-04 22:26 by hemengdong
[¿¼ÑÐ] Çóµ÷¼Á +4 êɹ¦? 2026-04-03 4/200 2026-04-04 21:58 by hemengdong
[¿¼ÑÐ] [µ÷¼ÁÐÅÏ¢]085408¹âµçÐÅÏ¢ Çóµ÷¼Á ×Ü·Ö291·ÖÊýÒ»Ó¢Ò» +3 iz11az 2026-04-02 3/150 2026-04-04 19:09 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 368Çóµ÷¼Á +5 ½ñ»ªÏ° 2026-04-03 7/350 2026-04-04 18:47 by imissbao
[¿¼ÑÐ] 22408Çóµ÷¼Á 354·Ö ¿É¿çרҵ +3 hannnnnnn 2026-04-04 3/150 2026-04-04 14:35 by ÍÁľ˶ʿÕÐÉú
[¿¼ÑÐ] ÔõôɾÌû×Ó°¡ +3 ·ìêØ1000 2026-04-04 3/150 2026-04-04 14:20 by ÍÁľ˶ʿÕÐÉú
[¿¼ÑÐ] 0856µ÷¼Á +8 ÇúÌýóÞ 2026-03-30 8/400 2026-04-04 08:46 by tianyyysss
[¿¼ÑÐ] 268Çóµ÷¼Á +8 ÄãºÃtg 2026-04-03 9/450 2026-04-04 05:08 by gswylq
[¿¼ÑÐ] 266Çóµ÷¼Á +3 08µçÆø¹¤³Ì 2026-04-03 3/150 2026-04-03 14:05 by 1753564080
[¿¼ÑÐ] 330Çóµ÷¼Á +3 °×ÉñÎØºôºô 2026-04-02 3/150 2026-04-03 10:15 by À¶ÔÆË¼Óê
[¿¼ÑÐ] ÉúÎïѧ308·ÖÇóµ÷¼Á£¨Ò»Ö¾Ô¸»ª¶«Ê¦´ó£© +6 ÏàÐűػá¹ââÍòÕ 2026-03-31 7/350 2026-04-02 23:16 by JourneyLucky
[¿¼ÑÐ] ½­ËտƼ¼´óѧÕвÄÁÏÑо¿Éú +4 Su032713. 2026-04-01 5/250 2026-04-01 22:03 by cccchenso
[¿¼ÑÐ] ¿¼Ñе÷¼ÁÇóÖú +7 13287130938 2026-03-31 7/350 2026-03-31 16:39 by 690616278
[¿¼ÑÐ] Ò»Ö¾Ô¸´óÁ¬Àí¹¤´óѧ£¬»úе¹¤³Ìѧ˶£¬341 +3 Î÷¹ÏÌïµÄÊØÍûÕß 2026-03-30 3/150 2026-03-31 11:08 by asdfzly
[¿¼ÑÐ] 274Çóµ÷¼Á +6 xiao°®Í¬Ñ§ 2026-03-30 6/300 2026-03-31 10:04 by cal0306
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û