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
_______________________________________________ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum