Hello, in case someone else struggles with generation of axsf and xsf files from QE outputs, I'd like to share a tip. The pwo2xsf script from XCRYSDEN is much more reliable than the one in PW/tools (in my hands, the latter just dumps the first frame and then complains about not being able to read ATOMIC_POSITIONS records). It is used internally by XCRYSDEN but can also be utilized to save an axsf file. For example, to create an axsf file from a QE trajectory (relaxation or md) of a 2D slab: (-r 2 is the "reduce periodic dimension to 2" functionality familiar to XCRYSDEN users) path-to-xcrysden/bin/pwo2xsf -r 2 -a pw_output.out > movie.axsf Such axsf can then be opened in VMD etc.
Best regards, Michal Krompiec Merck KGaA
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