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±¾È˵ÚÒ»´ÎËãÉù×ӯף¬ºÜ¶àµØ·½¶¼²»Ì«¶®¡£ÎÒÓõÄÊÇvasp+phonopy,ÎÒ¸ù¾ÝÊÖ²áÉÏ˵µÄÒѾËãµÃµ½ÁËFORCE_SETS,È»ºóÎÒÏëµÃ³öÉù×ÓÆ×ͼ¡£ÏÖÔÚ²»ÖªµÀÓ¦¸ÃÔõô×ö£¬¿´µ½ÂÛ̳ÉÏÓÐÈË˵¼ÆËãÉù×ÓÆ×ºÍ¼ÆËãÉù×ÓÄÜ´ø±¾ÖÊÊÇÒ»ÑùµÄ£¬Òò´ËÎÒ³¢ÊÔËãÁËÒ»ÏÂÆäÉù×ÓÄÜ´ø£¬È´ÔÚÔËÐÐ phonopy -p band.confºóµÃµ½ÒÔϽá¹û£¬ÄÜÂé·³°ïÎÒ¿´¿´ÊÇʲô´íÎóÂ𣿠Band structure mode Settings: Supercell: [2 2 2] Spacegroup: Pbnm (62) Calculating force constants... Paths in reciprocal reduced coordinates: [ 0.00 0.00 0.00] --> [ 0.50 0.00 0.50] [ 0.50 0.50 1.00] --> [-0.00 -0.00 -0.00] [ 0.00 0.00 0.00] --> [ 0.50 0.50 0.50] Traceback (most recent call last): File "/data/program/phonopy/bin/phonopy", line 780, in plot = phonon.plot_band_structure(settings.get_band_labels()) File "/data/program/phonopy/lib/python/phonopy/__init__.py", line 400, in plot_band_structure return self._band_structure.plot_band(symbols) File "/data/program/phonopy/lib/python/phonopy/phonon/band_structure.py", line 87, in plot_band plt.plot(distances, freqs, 'r-') File "/usr/lib/pymodules/python2.6/matplotlib/pyplot.py", line 2134, in plot ax = gca() File "/usr/lib/pymodules/python2.6/matplotlib/pyplot.py", line 582, in gca ax = gcf().gca(**kwargs) File "/usr/lib/pymodules/python2.6/matplotlib/pyplot.py", line 276, in gcf return figure() File "/usr/lib/pymodules/python2.6/matplotlib/pyplot.py", line 254, in figure **kwargs) File "/usr/lib/pymodules/python2.6/matplotlib/backends/backend_tkagg.py", line 90, in new_figure_manager window = Tk.Tk() File "/usr/lib/python2.6/lib-tk/Tkinter.py", line 1646, in __init__ self.tk = _tkinter.create(screenName, baseName, className, interactive, wantobjects, useTk, sync, use) _tkinter.TclError: no display name and no $DISPLAY environment variable ÇóÅ£ÈËÏàÖú°¡¡¤¡¤ÀáÁ÷ÂúÃæ¡£¡£Ð¡µÄÒѾĥÁ˺öàÌ춼ûŪ³öÀ´ÁË¡£Ð»Ð»´óÏÀÏàÖú¡£¡£¡£ |
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