GW improvements: self-consistent PBC GW routines#3244
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* KREVGW/KUEVGW: spin-restricted/unrestricted eigenvalue self-consistent GW * KRQSGW/KUQSGW: spin-restricted/unrestricted quasiparticle self-consistent GW * examples and test files added Co-authored-by: Tianyu Zhu <zhutianyu1991@gmail.com> Co-authored-by: Christopher Hillenbrand <chillenbrand15@gmail.com>
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Some new test added here needs over 200s in actions. Can you mark it as pyscf/pyscf/pbc/adc/test/test_k_ea.py Line 67 in 4330efa |
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Thanks for suggesting this 👍I marked those 4 test files as high cost. |
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This is the 6th of several updates to the GW/RPA code from the Zhu lab
Contributors: Tianyu Zhu (@zhutianyu1991 ), Jiachen Li (@lijiachen417 ), Chris Hillenbrand (@chillenb )