[Pw_forum] Phonon axsf does not move in XCrysden

2017-03-26 Thread 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

[Pw_forum] vc-md calculation

2017-03-26 Thread ade wale
Dear Q.E family, Can the program continue from where its stop when their is power failure? (any of the calculation; scf, vc-relax, vc-md...) Thanks ___ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum