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mercury13100

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10Â¥: Originally posted by beefly at 2016-11-29 17:05:18
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11Â¥2016-11-29 17:41:18
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beefly

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11Â¥: Originally posted by mercury13100 at 2016-11-29 17:41:18
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12Â¥2016-11-29 20:13:26
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mercury13100

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ÒýÓûØÌû:
10Â¥: Originally posted by beefly at 2016-11-29 17:05:18
È¥µôoptÖеÄz-mat...

HESSIAN EIGENVECTORS AND EIGENVALUES
                           1         2
     Eigenvalues --    -0.34938   2.17122
   1         B1        -0.46522   0.88519
   2         B2         0.88519   0.46522
HESSIAN DOES NOT HAVE THE DESIRED LOCAL STRUCTURE
TAKING SIMPLE RFO STEP
SEARCHING FOR LAMDA THAT MINIMIZES ALONG ALL MODES


*****************************************
*** UNABLE TO DETERMINE LAMDA IN FmD114 **
*****************************************


Error termination via Lnk1e in /lustre/software/g09/l114.exe at Wed Nov 30 14:43:47 2016.
Job cpu time:       0 days 11 hours 56 minutes 11.9 seconds.
File lengths (MBytes):  RWF=    609 Int=      0 D2E=      0 Chk=      3 Scr=      1
13Â¥2016-11-30 15:47:34
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

mercury13100

гæ (³õÈëÎÄ̳)

ÒýÓûØÌû:
10Â¥: Originally posted by beefly at 2016-11-29 17:05:18
È¥µôoptÖеÄz-mat...

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14Â¥2016-11-30 15:47:50
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