[Pw_forum] Phonon axsf does not move in XCrysden

[Huang, Xu]

Dear all,


I'm using QE-5.2.0 to do the phonon calculation to test some small gas molecules, such as O2, CH4 etc.

I got a "dynmat.axsf" for O2 with 6 modes shown below.

However, when I type "xcrysden --axsf dynmat.axsf" to visualize the vibrational mode,

I can't see any movement when I click the <- and -> arrows back and forth.

(I do see the arrows of forces when display them.)

Is there anything wrong with this axsf file?

Or is there any parameter for the dynmat.x to produce specific axsf to animate a certain mode?


Thank you,

Xu Huang


-----------------------------------------------------

ANIMSTEPS   6
CRYSTAL
PRIMVEC
   21.167088344    0.000000000    0.000000000
    0.000000000   21.167088344    0.000000000
    0.000000000    0.000000000   21.167088344
PRIMCOORD  1
      2   1
   O      1.23655   0.00000   0.00000   0.00000  -0.00000  -0.07722
   O      0.00000   0.00000   0.00000   0.00000   0.00000   0.06354
PRIMCOORD  2
      2   1
   O      1.23655   0.00000   0.00000   0.00000  -0.07071  -0.00000
   O      0.00000   0.00000   0.00000   0.00000   0.07071  -0.00000
PRIMCOORD  3
      2   1
   O      1.23655   0.00000   0.00000   0.00000  -0.00000   0.06354
   O      0.00000   0.00000   0.00000   0.00000   0.00000   0.07722
PRIMCOORD  4
      2   1
   O      1.23655   0.00000   0.00000  -0.07071  -0.00000   0.00000
   O      0.00000   0.00000   0.00000  -0.07071   0.00000   0.00000
PRIMCOORD  5
      2   1
   O      1.23655   0.00000   0.00000   0.00000  -0.07071  -0.00000
   O      0.00000   0.00000   0.00000   0.00000  -0.07071  -0.00000
PRIMCOORD  6
      2   1
   O      1.23655   0.00000   0.00000  -0.07071   0.00000   0.00000
   O      0.00000   0.00000   0.00000   0.07071   0.00000   0.00000


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