| ²é¿´: 698 | »Ø¸´: 0 | ||
ÓÇÉ˵ÄСÖíʵϰ°æÖ÷
|
[ÇóÖú]
ÇóÖú ¸ß˹¼ÆËã³ö´í
|
|
G03 Search did not lower the energy significantly. No lower point found -- switch to scaled steepest descent. Search did not lower the energy significantly. Scaled steepest descent with Shift=0.000 failed. Search did not lower the energy significantly. Scaled steepest descent with Shift=0.025 failed. Search did not lower the energy significantly. Scaled steepest descent with Shift=0.050 failed. Search did not lower the energy significantly. Scaled steepest descent with Shift=0.075 failed. Search did not lower the energy significantly. No lower point found -- switch to steepest descent. Search did not lower the energy significantly. No lower point found -- run aborted. Error termination via Lnk1e in C:\G03W\l508.exe at Fri Jun 15 19:09:09 2012. Job cpu time: 0 days 10 hours 13 minutes 29.0 seconds. ÊÇÔõô»ØÊ°¡£¿ File lengths (MBytes): RWF= 11 Int= 0 D2E= 0 Chk= 4 Scr= 1 |
» ²ÂÄãϲ»¶
[µç×ӽ̲Ä]Ìì½ò´óѧÎïÀí»¯Ñ§£¨µÚÆß°æ£©ÉÏ¡¢Ï²á
ÒѾÓÐ4È˻ظ´
°ë͸ÐÔÈÝÆ÷½øÐиßʪ»òÕßµÍʪÑо¿
ÒѾÓÐ0È˻ظ´
ÎïÀí»¯Ñ§ÂÛÎÄÈóÉ«/·ÒëÔõôÊÕ·Ñ?
ÒѾÓÐ287È˻ظ´
ÒõÀë×Ó½»»»Ä¤µç½â¶þÑõ»¯Ì¼»¹Ô
ÒѾÓÐ0È˻ظ´
¾Å½Ñ§Ôº2026Äê×îи߲ã´ÎÈ˲ÅÕÐÆ¸¹«¸æ
ÒѾÓÐ0È˻ظ´
ÉîÛÚÐÅÏ¢Ö°Òµ¼¼ÊõѧԺ2026Äê½ÌʦÕÐÆ¸¹«¸æ£¨×îУ©
ÒѾÓÐ0È˻ظ´
Ñо¿ÉúÕÐÉú
ÒѾÓÐ0È˻ظ´
ɽÎ÷´óѧ×ÊÔ´Óë»·¾³¹¤³ÌÑо¿Ëù»¯¹¤·ÖÀë/»·¾³¹¦ÄܲÄÁÏС×éÕÐÊÕ2026Ä격ʿÉú
ÒѾÓÐ3È˻ظ´
Ò»Ö¾Ô¸ÄÏʦ´ó0703»¯Ñ§ 275Çóµ÷¼Á
ÒѾÓÐ5È˻ظ´
A Çø¹ýÏ߾ͿÉÉê£¡ÖØÇìË«·Ç¹«°ì¸ßУ 0856µ÷¼Á£¬½ÓÊÜ¿çרҵ£¡ÄÉÃײÄÁÏ / Èó»¬ÈÈÃÅ·½Ïò
ÒѾÓÐ0È˻ظ´
»¶Óµ÷¼Á³¤½Ê¦·¶Ñ§ÔºÌÀÀÏʦ¿ÎÌâ×éµÄ˶ʿÑо¿Éú
ÒѾÓÐ0È˻ظ´
ÕÒµ½Ò»Ð©Ïà¹ØµÄ¾«»ªÌû×Ó£¬Ï£ÍûÓÐÓÃŶ~
ÇóÖú¸ß˹ÄÜÁ¿¼ÆËãÎÊÌâ
ÒѾÓÐ6È˻ظ´
¡¾ÇóÖú¡¿¸ß˹¼ÆËãtdµÄÎÊÌâ
ÒѾÓÐ9È˻ظ´
¡¾ÇóÖú¡¿¸ß˹¼ÆËãʱÎÞÔµÎÞ¹ÊÖжϵÄÎÊÌâ
ÒѾÓÐ8È˻ظ´
¡¾ÇóÖú¡¿¸ß˹¼ÆËã¹ý¶É̬²»ÊÕÁ²£¬ÇëÎÊÈçºÎ½â¾ö£¿
ÒѾÓÐ8È˻ظ´
¡¾ÇóÖú¡¿¸ß˹¼ÆËã³ö´í
ÒѾÓÐ11È˻ظ´
¡¾ÇóÖú¡¿¸ß˹¼ÆËã·Ö×Ó·¼ÏãÐÔ³ö´í
ÒѾÓÐ12È˻ظ´
¡¾ÇóÖú¡¿BSSE¼ÆËã³ö´í
ÒѾÓÐ19È˻ظ´
¿ÆÑдÓСľ³æ¿ªÊ¼£¬ÈËÈËΪÎÒ£¬ÎÒΪÈËÈË














»Ø¸´´ËÂ¥
µã»÷ÕâÀïËÑË÷¸ü¶àÏà¹Ø×ÊÔ´
130