Author Topic: VASP PDOS from PROCAR  (Read 142 times)

0 Members and 1 Guest are viewing this topic.

Offline job314

  • New QuantumATK user
  • *
  • Posts: 3
  • Country: us
  • Reputation: 0
    • View Profile
VASP PDOS from PROCAR
« on: February 1, 2026, 21:28 »
Dear all, I apologize if this has been asked. I am trying to visualize VASP calculate TDOS and PDOS, DOSCAR give me only TDOS, ir I click on PROCAR it returns be an error message below. I presume I need PROCAR of decomposed PDOS and indeed that file is large, soit  it contains info obtained with VASP LORBIT=11, I was wondering how can I display those

Traceback (most recent call last):
  File "zipdir\NL\GUI\Tools\Data\DataCatalogWidget.py", line 856, in _onDoubleClicked
  File "zipdir\NL\GUI\Tools\Data\DataCatalogWidget.py", line 959, in open
  File "zipdir\NL\GUI\Tools\Data\DataCatalogWidget.py", line 959, in <listcomp>
  File "C:\Program Files\QuantumATK\QuantumATK-X-2025.06\atkpython\Lib\site-packages\AddOns\FatBandstructurePlugins\FatBandstructureAnalysisPlugin.py", line 54, in createWidget
    is_compatible = plotter.setDataItem(item)
                    ^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\Program Files\QuantumATK\QuantumATK-X-2025.06\atkpython\Lib\site-packages\AddOns\FatBandstructurePlugins\FatBandstructurePlotter.py", line 187, in setDataItem
    if not fat_bandstructure._usesRoute():
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^
AttributeError: 'NoneType' object has no attribute '_usesRoute'