Znn3bq.jpeg
ÉÇÍ·´óѧº£Ñó¿ÆÑ§½ÓÊܵ÷¼Á
²é¿´: 1250  |  »Ø¸´: 2

xiaofeifei2

Í­³æ (³õÈëÎÄ̳)

[ÇóÖú] HOMO-LUMO gap µÄ¼ÆËãÎÊÌâ ÒÑÓÐ1È˲ÎÓë

HOMO-LUMO gap µÄ¼ÆË㣬ÊÇ¿´ÓÅ»¯£¨relaxation£©µÄOUTCAR£¬»¹ÊÇ¿´¾²Ì¬¼ÆËãµÄOUTCAR£¿
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

valenhou001

ÖÁ×ðľ³æ (Ö°Òµ×÷¼Ò)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
fzx2008: ½ð±Ò+2, ллָµ¼ 2014-07-23 19:39:42
xiaofeifei2: ½ð±Ò+10, лл~ 2014-07-24 10:11:01
µ±È»×îºÃÊǶÔÓÅ»¯Ö®ºóµÄ½á¹¹½øÐо²Ì¬¼ÆË㣬ÔÚ¾²Ì¬¼ÆËãµÄOUTCARÀïÀ´¿´LUMO, HOMOµÄÖµ¡£»òÕßÊÇEIGENVALUEÀïÕÒHOMOºÍLUMOµÄÖµ¡£
2Â¥2014-07-23 18:37:01
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

zltdcq99

½ð³æ (СÓÐÃûÆø)

Â¥Ö÷£¬ÄܸæËßÎÒÄã×îºóÔõô֪µÀHOMO-LUMO gapÂð£¿

·¢×ÔСľ³æAndroid¿Í»§¶Ë
3Â¥2017-07-24 09:58:40
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ xiaofeifei2 µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 291 Çóµ÷¼Á +38 »¯¹¤2026½ì±ÏÒµÉ 2026-04-09 39/1950 2026-04-15 08:03 by ²»ÎÒÀ­ÂÌ¿¨
[¿¼ÑÐ] µ÷¼ÁÇóÊÕÁô +33 ¹ûÈ»ÓÐÎÒ 2026-04-10 34/1700 2026-04-15 00:37 by zzzggc
[¿¼ÑÐ] ²ÄÁϹ¤³Ì085601£¬270Çóµ÷¼Á +42 @ASDF1234 2026-04-08 46/2300 2026-04-14 18:12 by åÐÒ£ÈýÀÉ
[¿¼ÑÐ] ¿ÒÇëÓÐѧУÊÕÁô +3 ¿Â»´È» 2026-04-12 3/150 2026-04-14 16:25 by ÄæË®³Ë·ç
[¿¼ÑÐ] ²ÄÁÏרҵ344Çóµ÷¼Á +17 hualkop 2026-04-10 22/1100 2026-04-14 16:21 by sxdj2
[¿¼ÑÐ] 271Çóµ÷¼Á +35 2261744733 2026-04-11 41/2050 2026-04-14 15:36 by zs92450
[¿¼ÑÐ] Ò»Ö¾Ô¸Î÷½»»úеר˶Çóµ÷¼Á +9 ÇóÉϰ¶µÄСÍõ 2026-04-10 9/450 2026-04-13 16:08 by jiangguiquan11
[¿¼ÑÐ] Ò»Ö¾Ô¸Õã´óÉúÎï325·ÖÇóµ÷¼Á +9 zysheng 2026-04-12 9/450 2026-04-12 22:31 by yuyin1233
[¿¼ÑÐ] 295·ÖÇóµ÷¼Á +13 ?ÒªÉϰ¶? 2026-04-10 13/650 2026-04-12 15:37 by laoshidan
[¿¼ÑÐ] Çóµ÷¼Á£¬Ò»Ö¾Ô¸²ÄÁÏ¿ÆÑ§Ó빤³Ì985£¬365·Ö£¬ +8 ²Ä»¯Àî¿É 2026-04-11 10/500 2026-04-12 08:42 by 852137818
[¿¼ÑÐ] 299Çóµ÷¼Á +8 ZVVZ13 2026-04-08 8/400 2026-04-12 00:40 by À¶ÔÆË¼Óê
[¿¼ÑÐ] Ò»Ö¾Ô¸Ïôó0856£¬306Çóµ÷¼Á +15 Bblinging 2026-04-11 15/750 2026-04-11 22:53 by 314126402
[¿¼ÑÐ] µ÷¼Á +6 ÇàµÆ²»¸º 2026-04-09 6/300 2026-04-11 20:35 by dongdian1
[¿¼ÑÐ] 22408 352·ÖÇóµ÷¼Á0854Àà +4 ŬÁ¦µÄÏÄÄ© 2026-04-09 4/200 2026-04-11 09:57 by zhq0425
[¿¼ÑÐ] 22408µ÷¼ÁÇóÖú +7 ì±12 2026-04-09 9/450 2026-04-11 09:23 by ŶŶ123
[¿¼ÑÐ] 344Çóµ÷¼Á +7 ؼ·çѩҹ¹éÈËØ¼ 2026-04-09 7/350 2026-04-10 12:05 by pengliang8036
[¿¼ÑÐ] ½­ËÕ´óѧ ¹¤¿Æµ÷¼Á ¼ñ© +3 Evan_Liu 2026-04-09 5/250 2026-04-10 10:22 by Evan_Liu
[¿¼ÑÐ] ¿¼Ñе÷¼Á-²ÄÁÏÀà-284 +28 Ïë»»ÊÖ»ú²»Ïë½âÊ 2026-04-08 28/1400 2026-04-09 20:08 by µ¹Êý321?
[¿¼ÑÐ] 085501»úеӢ¶þ77×Ü·Ö294Çóµ÷¼Á£¬½ÓÊÜ¿çרҵѧϰ +6 ÊØ·¨¹«ÃñØÁ¼Í 2026-04-08 6/300 2026-04-09 15:55 by wp06
[¿¼ÑÐ] 086000ÉúÎïÓëÒ½Ò©µ÷¼Á +7 awwwwwooooo 2026-04-09 7/350 2026-04-09 13:31 by ±±¼«159263
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û