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  • [get | view] (2021-02-17 12:57:50, 0.1 KB) [[attachment:DFT commands with LC-PBE and dispersion correction]]
  • [get | view] (2021-02-17 12:58:35, 0.1 KB) [[attachment:LC-PBE]]
  • [get | view] (2021-02-17 12:58:48, 0.1 KB) [[attachment:LC-PBE0]]
  • [get | view] (2021-02-17 12:57:03, 0.0 KB) [[attachment:NWChem DFT block]]
  • [get | view] (2021-02-17 12:58:05, 0.0 KB) [[attachment:PBE]]
  • [get | view] (2021-02-17 12:58:19, 0.0 KB) [[attachment:PBE0]]
  • [get | view] (2021-02-17 12:59:06, 0.5 KB) [[attachment:Sample template for the Python code]]
  • [get | view] (2021-02-17 12:59:23, 4.3 KB) [[attachment:batch_Ar2_PBE0.py]]
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