Znn3bq.jpeg
²é¿´: 1122  |  »Ø¸´: 7
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

phq323

ÖÁ×ðľ³æ (Ö°Òµ×÷¼Ò)

[½»Á÷] ¼ÆËãÖеÄWARNING ÒÑÓÐ4È˲ÎÓë

WIEN2k¼ÆËãÖгöÏÖ
WARNING£ºR0 for  atom  1 too big
¶øÎÞ·¨ËãÏÂÈ¥¡£
Ç°Ãæ²ÎÊýµÄÉèÖòÉÓÃdefault£¬²»ÖªµÀÎÊÌâÔÚÄÄÀ

[ ·¢×ÔÊÖ»ú°æ http://muchong.com/3g ]
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

¶¥ÌûÒ²ÊÇÒ»ÖÖÊÕ»ñ£¡
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ÎÒÊÇqiye

Í­³æ (³õÈëÎÄ̳)

¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
ÒýÓûØÌû:
7Â¥: Originally posted by phq323 at 2012-08-24 09:27:26
ºÃµÄ£¬ÊǸö°ì·¨£¬È¥ÊÔÊÔ¿´¡£
лл¡£...

Â¥Ö÷£¬ÄãµÄR0¹ý´óµÄÎÊÌâÊÇ·ñ½â¾öÁË£¡ÎÒĿǰҲÓöµ½´Ë×´¿ö£¡°ïæ½â´ðÒ»ÏÂллÀ²£¡£¡£¡£¡
8Â¥2013-11-12 15:59:13
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 8 ¸ö»Ø´ð

shiy

ľ³æ (СÓÐÃûÆø)

¡ï ¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
WDD880227: ½ð±Ò+1, ллÌáʾ 2012-08-20 10:05:51
¿ÉÄÜȱʡµÄRmtÌ«´ó£¬ÐèÒªµ÷С
2Â¥2012-08-19 19:46:01
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

phq323

ÖÁ×ðľ³æ (Ö°Òµ×÷¼Ò)

ÒýÓûØÌû:
2Â¥: Originally posted by shiy at 2012-08-19 19:46:01
¿ÉÄÜȱʡµÄRmtÌ«´ó£¬ÐèÒªµ÷С

ÊÔ¹ýÁË£¬Ã»ÓÐÓõġ£
лл¡£
¶¥ÌûÒ²ÊÇÒ»ÖÖÊÕ»ñ£¡
3Â¥2012-08-20 23:34:22
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

souledge

ר¼Ò¹ËÎÊ (ÖøÃûдÊÖ)

¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
»òÕßÊÇÄ£Ðͽ¨Á¢ÓÐÎÊÌ⣬ËùÒÔȱʡµÄMuffin-tin°ë¾¶ÏԵùý´ó~
±È½ÏµäÐ͵ÄÀý×Ó£¬±ÈÈ罨Á¢NaCl½á¹¹µÄprimitive cellʱ£¬¾ÓȻдÁ˰˸öÔ­×ÓµÄλÖá­¡­
˼ÏëÖØÓÚ¼¼ÇÉ£¬ÄÚº­ÖØÓÚ±íÏó
4Â¥2012-08-23 21:00:46
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] ¼ÆËã»ú22408 281·Ö£¬Çóµ÷¼Á +7 17715607211 2026-04-06 7/350 2026-04-12 00:43 by xuxiang
[¿¼ÑÐ] 22408µ÷¼Á315·Ö +3 zhuangyan123 2026-04-09 3/150 2026-04-12 00:25 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 291·Öµ÷¼Á +5 Éϰ¶Ð¡Ó¨¼ÓÓÍ 2026-04-09 6/300 2026-04-11 21:06 by ÄæË®³Ë·ç
[¿¼ÑÐ] µ÷¼Á +10 Ö»ÐðÀë±ð´Ç 2026-04-09 12/600 2026-04-11 20:57 by ÄæË®³Ë·ç
[¿¼ÑÐ] Çóµ÷¼Á£¬Ò»Ö¾Ô¸´óÁ¬Àí¹¤´óѧ354·Ö +5 ÓêÉùÓàÉú 2026-04-11 6/300 2026-04-11 16:12 by ÓêÉùÓàÉú
[¿¼ÑÐ] 300·ÖÇóµ÷¼Á £¨085501»úеר˶£¬±¾¿ÆÑï´ó£© +8 xu@841019 2026-04-11 8/400 2026-04-11 10:46 by qingpingzhu
[¿¼ÑÐ] ²ÄÁϹ¤³Ì085601£¬270Çóµ÷¼Á +30 @ASDF1234 2026-04-08 32/1600 2026-04-11 10:30 by Delta2012
[¿¼ÑÐ] 22408 327·ÖÇóµ÷¼Á +4 ÔÏ·çkon 2026-04-10 4/200 2026-04-11 09:51 by Öí»á·É
[¿¼ÑÐ] ÉúÎïѧ308·ÖÇóµ÷¼Á£¨Ò»Ö¾Ô¸»ª¶«Ê¦´ó£©×ö¹ý·Ö×ÓʵÑé +8 ÏàÐűػá¹ââÍòÕ 2026-04-07 9/450 2026-04-10 21:03 by zhouxiaoyu
[»ù½ðÉêÇë] Óб¬ÁÏ£¬Ò»¸öÇàÄê½ÌʦÂô·¿µÃ400Íò£¬È»ºó»»ÁËÒ»¸öËÄÇàñ×Ó +9 babu2015 2026-04-08 9/450 2026-04-10 11:43 by ËÕ¶«ÆÂ¶þÊÀ
[¿¼ÑÐ] 085400µç×ÓÐÅÏ¢Àࣨ´¨´ó¿ØÖƹ¤³Ì£©Çóµ÷¼Á¿É¿çרҵ ÇóÀÏʦÁªÏµ +3 626776879 2026-04-08 3/150 2026-04-09 16:05 by Öí»á·É
[¿¼ÑÐ] ²ÄÁϵ÷¼Á +14 Ò»ÑùYWY 2026-04-05 15/750 2026-04-09 13:36 by ¹ÊÈË??
[¿¼ÑÐ] 298Çóµ÷¼Á +4 manman511 2026-04-05 4/200 2026-04-08 16:50 by tjzhao
[¿¼ÑÐ] Çóµ÷¼Á£¬ÏÖÔÚ»¹ÄÜÌîµÄ +3 Éϰ¶Ð¡Ó¨¼ÓÓÍ 2026-04-08 3/150 2026-04-08 14:30 by zhq0425
[¿¼ÑÐ] ¼ÆËã»ú408£üÔÚУ¶à´Î¹ú¼Ò¼¶¾ºÈü»ñ½±£üÉêÇëµ÷¼Á +4 ¶«É½´ó°×¶ì 2026-04-05 4/200 2026-04-08 00:18 by chongya
[¿¼ÑÐ] 307Çóµ÷¼Á +3 Youth@@ 2026-04-07 3/150 2026-04-07 22:00 by hemengdong
[¿¼ÑÐ] ±¾¿ÆÉúÎïÐÅϢѧ£¬×Ü·Ö362 Çó07 08µ÷¼Á +6 qСٻ1210 2026-04-06 6/300 2026-04-07 19:40 by macy2011
[¿¼ÑÐ] 22408 µ÷¼Á²ÄÁÏ +7 ÎÒ½Ðez 2026-04-06 8/400 2026-04-07 17:12 by À¶ÔÆË¼Óê
[¿¼ÑÐ] ¹¤¿Æ 22408 267ÇóÍÆ¼ö +4 wanwan00 2026-04-05 5/250 2026-04-06 22:47 by chenzhimin
[¿¼ÑÐ] ÉúÎïÓëÒ½Ò©Çóµ÷¼Á +7 heguanhua 2026-04-05 8/400 2026-04-06 18:41 by macy2011
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û