| ²é¿´: 3449 | »Ø¸´: 0 | ||
ÿÌìѧһµãгæ (³õÈëÎÄ̳)
|
[ÇóÖú]
Error termination via Lnk1e in /home/program//g09/l913.exe Ôõô½â¾ö£¿
|
|
#p cbs-qb3 opt=(ts,noeigentest,calcfc,maxcyc=200) iop(9/6=400) scf(maxcy c=400) *MAX. CYCLES* ************* Dominant configurations: *********************** Spin Case I J A B Value AA 26 28 0.260765D+00 AA 27 28 0.378688D+00 ABAB 26 26 28 28 -0.115458D+00 Largest amplitude= 3.79D-01 Error termination via Lnk1e in /home/program//g09/l913.exe Ôõô½â¾ö£¿ |
» ²ÂÄãϲ»¶
Î÷ÄÏij211ÕÐ27½ì²©Ê¿
ÒѾÓÐ33È˻ظ´
´óÁ¬¹¤Òµ½ÜÇà/³¤½ÍŶÓ-ÉúÎïÖʲÄÁÏ-´¢ÄÜµç³Ø·½ÏòÕÐÊÕ2026¼¶²©Ê¿Éú
ÒѾÓÐ0È˻ظ´
ÎïÀí»¯Ñ§ÂÛÎÄÈóÉ«/·ÒëÔõôÊÕ·Ñ?
ÒѾÓÐ80È˻ظ´
ÉîÛÚ´óѧ¸ßµÈÑо¿ÔºÕÔΰ¿ÎÌâ×éÕÐÊÕ»¯Ñ§µ÷¼ÁÉú
ÒѾÓÐ3È˻ظ´
Çൺ´óѧ¹Ì̬µç³ØÑо¿ÍŶÓÕÐÊÕ²ÄÁÏ¡¢»¯Ñ§¡¢ÎïÀíµÈ·½Ïò²©Ê¿Ñо¿Éú
ÒѾÓÐ32È˻ظ´
»¯Ñ§¹¤³Ì085602 305·ÖÇóµ÷¼Á
ÒѾÓÐ17È˻ظ´
26²©Ê¿ÉêÇë
ÒѾÓÐ0È˻ظ´
Î人·ÄÖ¯´óѧȫ¹úÖØµãʵÑéÊÒÑîÓ¦¿ü½ÌÊÚÍŶÓÄâÕÐ17-19λ˶²©Éú£¡
ÒѾÓÐ0È˻ظ´
²ÄÁÏÓ뻯¹¤×¨Ë¶½ÓÊÜ¿çרҵµ÷¼Á£¨ÖØÇìÊÐÊô¸ßУ£©
ÒѾÓÐ0È˻ظ´
Î人·ÄÖ¯´óѧȫ¹úÖØµãʵÑéÊÒÑîÓ¦¿ü½ÌÊÚÍŶÓÄâÕÐ17-19λ˶²©Éú£¡
ÒѾÓÐ0È˻ظ´
ÕÒµ½Ò»Ð©Ïà¹ØµÄ¾«»ªÌû×Ó£¬Ï£ÍûÓÐÓÃŶ~
±Õ¿Ç²ãÌåϵµ¥µãÄÜɨÃè³öÏÖµÄÎÊÌâ
ÒѾÓÐ3È˻ظ´
gaussian Error termination via Lnk1e in /opt/gaussian/g09/l1002.exe
ÒѾÓÐ5È˻ظ´
ÇóÖú£¬Gaussianccsd(t)µ¥µãËã³ö´í
ÒѾÓÐ3È˻ظ´
Error termination via Lnk1e in d:\g09\l103.exe
ÒѾÓÐ9È˻ظ´
CCSD(T)¼ÆËãCPÄÜÁ¿Ð£Õý£¬L913´íÎó£¨ÒÑÉèmaxcycle=512£©ÈçºÎ½â¾ö£¿
ÒѾÓÐ7È˻ظ´
¿ÆÑдÓСľ³æ¿ªÊ¼£¬ÈËÈËΪÎÒ£¬ÎÒΪÈËÈË














»Ø¸´´ËÂ¥
µã»÷ÕâÀïËÑË÷¸ü¶àÏà¹Ø×ÊÔ´