[Pw_forum] still can not get the modes with the dynmat.x

[xu yuehua]

i use dynmat.x to add lo-to split ,and want to get the new frequencies and
modes, and  only the frequencies is present .
my infile now:

&input
fildyn='/raid/xyh/pwscf/fourringwater/pho_scf_relax_fromlqf_via_vaspz/*.dynG',
asr='one-dim',
q(1)=0,q(2)=0,q(3)=12,
filout= 'dynmat.out'/



but there is not dynmat.out .only the file like pwscf.sh.o8645
and in pwscf.sh.o8645

there is :

ue Nov 20 17:29:58 CST 2007

     Reading Dynamical Matrix from file
/raid/xyh/pwscf/fourringwater/pho_scf_relax_fromlqf_via_vaspz/fourringwater.dynG
asr rotation axis in 1D system=    3
     Acoustic Sum Rule: || Z*(ASR) - Z*(orig)|| =    0.815659E-01
     Acoustic Sum Rule: ||dyn(ASR) - dyn(orig)||=    0.697493E-01

     Polarizability (A^3 units)
     multiply by 0.971817 for Clausius-Mossotti correction
         5.625414    0.000658    0.000133
         0.000658    5.624128    0.000114
         0.000133    0.000114    8.860593

     IR cross sections are in (D/A)^2/amu units
#  mode   [cm-1]     [THz]       IR
    1      0.00    0.0000    0.0000
    2      0.00    0.0000    0.0000
    3      0.00    0.0000    0.0000
    4      0.00    0.0000    0.0000
    5     49.16    1.4738    0.0064
    6     63.88    1.9151    0.0043
    7     68.56    2.0554    0.0016
    8    106.29    3.1865    0.0002
    9    156.91    4.7040    0.0002
   10    252.93    7.5826    0.2436
   11    254.66    7.6344    0.4708
   12    257.93    7.7324    0.6958
   13    564.27   16.9163    0.4540
   14    631.40   18.9287    0.1605
   15    632.64   18.9659    1.7223
   16    633.03   18.9777    1.8109
   17    705.34   21.1455    1.3172
   18    750.19   22.4900    3.3584
   19    750.80   22.5084    3.3466
   20    793.99   23.8030    0.0001
   21    854.32   25.6117    3.6181

...........




no mode ! .i am puzzled .and where is my error ?


-- 
Xu Yuehua
physics Department of Nanjing university
China
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