[CPMD-list] about VIBRATIONAL ANALYSIS

[cdy2000 at vip.sina.com]

Hello,everyone.
    I have used VIBRATIONAL ANALYSIS LR GAUSS to calculate the MgO, and got the VIB1.log, this is a part of VIB1.log

                   19                     20                     21
                    ?A                     ?A                     ?A
 Frequencies --   533.8484               533.8493               534.4443
 Red. masses --     0.0000                 0.0000                 0.0000
 Frc consts  --     0.0000                 0.0000                 0.0000
 IR Inten    --     0.0000                 0.0000                 0.0000
 Raman Activ --     0.0000                 0.0000                 0.0000
 Depolar     --     0.0000                 0.0000                 0.0000
 Atom AN      X      Y      Z        X      Y      Z        X      Y      Z
   1  12     0.00   0.00   0.00     0.00   0.00   0.00     0.11   0.10   0.00
   2  12     0.00   0.00   0.00     0.00   0.00   0.00    -0.11   0.10   0.00
   3  12     0.00   0.00   0.00     0.00   0.00   0.00     0.11  -0.10   0.00
   4  12     0.00   0.00   0.00     0.00   0.00   0.00    -0.11  -0.10   0.00
   5  12    -0.43   0.12   0.00    -0.12  -0.43   0.00     0.00   0.00   0.53
   6  12    -0.43  -0.12   0.00    -0.12   0.43   0.00     0.00   0.00  -0.03
   7  12     0.43   0.12   0.00     0.12  -0.43   0.00     0.00   0.00   0.03
   8  12     0.43  -0.12   0.00     0.12   0.43   0.00     0.00   0.00  -0.53
   9   8     0.22  -0.06   0.00     0.06   0.22   0.00     0.00   0.00  -0.41
  10   8     0.22   0.06   0.00     0.06  -0.22   0.00     0.00   0.00   0.02
  11   8    -0.22  -0.06   0.00    -0.06   0.22   0.00     0.00   0.00  -0.03
  12   8    -0.22   0.06   0.00    -0.06  -0.22   0.00     0.00   0.00   0.41
  13   8     0.00   0.00   0.00     0.00   0.00   0.00     0.05   0.04   0.00
  14   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.05   0.04   0.00
  15   8     0.00   0.00   0.00     0.00   0.00   0.00     0.05  -0.04   0.00
  16   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.05  -0.04   0.00

but there is only the data of Frequencies,no any about IR Intensity in the VIB1.log. Why? I want to know how to solve the problem, add some other keywords in input?

Thanks for any help

Sincerely Cao Dayong

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