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»»Á˼¸¸öcase¶¼ÊÇͬÑùµÄÇé¿ö£¬ÃüÁîÊÇg03 XXX.gjf &,È»ºóÓÃtail -f XXX.log²é¿´logÎļþ£¬¿ÉÒÔÕý³£ÔËË㣬µ«ÊÇÔËËãµ½Ò»¶¨³Ì¶È£¨¼¸Ê®·ÖÖÓ»òÕßÒ»Á½¸öСʱ£©£¬logÎļþ¾Í²»¼ÌÐøÍùÏÂдÁË£¬Ò²Ã»ÓÐÈκδíÎóÌáʾ£¬×îºó¼¸ÐÐÊÇÕâÑùµÄ£¬ÇëÎÊÓÐÈËÓöµ½¹ýÕâÑùµÄÇé¿öÂð£¿
            (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
Harris functional with IExCor=  205 diagonalized for initial guess.
ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=1 IRadAn=         1 AccDes= 1.00D-06
HarFok:  IExCor= 205 AccDes= 1.00D-06 IRadAn=         1 IDoV=1
ScaDFX=  1.000000  1.000000  1.000000  1.000000
SCF Done:  E(RHF) =  -207.878138144     A.U. after   12 cycles
             Convg  =    0.3481D-08             -V/T =  2.0015
             S**2   =   0.0000
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qchem

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ÓÃsetsid g03 xxxÊÔÊÔ
2Â¥2015-03-25 08:52:21
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ÒýÓûØÌû:
2Â¥: Originally posted by qchem at 2015-03-25 08:52:21
ÓÃsetsid g03 xxxÊÔÊÔ

ллÄãµÄ°ïÖú£¬ÓÃÁËsetsid <xxx.gjf >xxx.out & Õâ¸öÃüÁ¹ûÈ»½â¾öÁËÎÊÌ⣡
3Â¥2015-03-26 13:16:21
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

qchem

Ìú¸Ëľ³æ (ÖøÃûдÊÖ)


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Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
ÒýÓûØÌû:
3Â¥: Originally posted by µÏÄÏ at 2015-03-26 13:16:21
ллÄãµÄ°ïÖú£¬ÓÃÁËsetsid <xxx.gjf >xxx.out & Õâ¸öÃüÁ¹ûÈ»½â¾öÁËÎÊÌ⣡...

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