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niaofei

铁虫 (初入文坛)

[求助] P4VASP 求助,不能绘制出LDOS 已有2人参与

能够绘出TDOS,但在我绘LDOS时,就什么都不显示,报错如下

/usr/lib/python2.7/dist-packages/p4vasp/applet/GraphWindowApplet.py:266: GtkWarning: IA__gtk_widget_set_events: assertion '!gtk_widget_get_realized (widget)' failed
  x.set_events(event_mask)
Traceback (most recent call last):
  File "/usr/share/p4vasp/p4v.py", line 642, in idle_func
    scheduler().next()
  File "/usr/lib/python2.7/dist-packages/p4vasp/schedule.py", line 51, in next
    return self[0].next()
  File "/usr/lib/python2.7/dist-packages/p4vasp/applet/ElectronicApplet.py", line 263, in updateDosGen
    l=len(data[0][0])
TypeError: __len__() should return an int
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niaofei

铁虫 (初入文坛)

引用回帖:
2楼: Originally posted by zuocuiping at 2015-07-28 19:35:20
你在INCAR里设置了LORBIT这个参数了吗?

感谢您的回复,是的,12, 有PROCAR
3楼2015-07-29 10:18:49
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zuocuiping

木虫 (职业作家)

你在INCAR里设置了LORBIT这个参数了吗?
2楼2015-07-29 07:35:20
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niaofei

铁虫 (初入文坛)

引用回帖:
2楼: Originally posted by zuocuiping at 2015-07-28 19:35:20
你在INCAR里设置了LORBIT这个参数了吗?

刚才试连BAND也不能画,报错同样
4楼2015-07-29 12:02:05
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zuocuiping

木虫 (职业作家)

引用回帖:
4楼: Originally posted by niaofei at 2015-07-29 12:02:05
刚才试连BAND也不能画,报错同样...

画能带要用特殊k点计算
可好
5楼2015-07-29 15:20:27
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