| ²é¿´: 3495 | »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»¶
²©Ê¿ÉúÕÐÉú, ²ÄÁÏÄ£Äâ·½Ïò£¬University of South Carolina
ÒѾÓÐ1È˻ظ´
TcÊý¾ÝÄâºÏ
ÒѾÓÐ1È˻ظ´
ÎïÀí»¯Ñ§ÂÛÎÄÈóÉ«/·ÒëÔõôÊÕ·Ñ?
ÒѾÓÐ154È˻ظ´
º«¹ú¸ªÉ½´óѧ´¢ÄÜµç³ØÓ빦ÄܲÄÁÏʵÑéÊÒ³ÏÕв©ºó£¨µç³Ø/µç»¯Ñ§/Æ÷¼þÖÆ±¸/MOFºÏ³É£©
ÒѾÓÐ187È˻ظ´
Æí¸££¡
ÒѾÓÐ79È˻ظ´
É¢½ðÇóºÃÔË
ÒѾÓÐ315È˻ظ´
²©Ê¿ÉúÕÐÉú, ²ÄÁÏÄ£Äâ·½Ïò£¬University of South Carolina
ÒѾÓÐ0È˻ظ´
Postdoc position, materials simulations/machine learning, U. of South Carolina
ÒѾÓÐ0È˻ظ´
Æí¸£Çà»ù
ÒѾÓÐ34È˻ظ´
Å£À´£¡Ã×À´£¡ÃæÀ´£¡
ÒѾÓÐ8È˻ظ´
2027É격×Éѯ
ÒѾÓÐ11È˻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´
30