[Pw_forum] how to plot phonon phonon modes after calculation

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[Pw_forum] bfgs : error # 1

Dear PWscf users/developers, I was performing an atomic-relaxation (calculation= 'relax') on a spin-polarized system. It went well at the first 19 atomic steps. Then it stopped with an error message "from bfgs : error # 1". The last few lines of the output file is shown below. I have succe

[Pw_forum] Traceback not available error!

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[Pw_forum] generating pseudopotential for Ti

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[Pw_forum] how to plot phonon phonon modes after calculation

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[Pw_forum] disentangle.x

Hi, please note this forum is about quantum-espresso, so please make sure that what you post here is relevant to the forum. (otherwise post it directly to me, eg when specifically related to WanT compilation etc etc) Anyway: it is actually difficult to guess what's going on here without any in

[Pw_forum] disentangle.x

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[Pw_forum] how to plot phonon phonon modes after calculation

mohnish pandey wrote: > Dear users , > I have followed the example 06 to calculate phonon > modes for ZnO. I have gone through the paper by Dr. Baroni on DFPT to > get insight of the calculations, but after getting all the dynamical > matrix files seperately for all the the q

[Pw_forum] how to plot phonon phonon modes after calculation

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[Pw_forum] how to plot phonon phonon modes after calculation

Dear Mohnish and QE users, --- On Wed, 4/7/10, mohnish pandey wrote: Is there any plotting module for phonon modes especially? YES, it is. Theres is plot_phonon_dispersions utility released approximately a month ago via QE forum. Please follow the next link http://www.democritos.it/pipermail