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TRIQS / solid_dmft

solid_dmft is a versatile python wrapper to perform DFT+DMFT calculations utilizing the TRIQS software library.
https://triqs.github.io/solid_dmft/
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Error in running the second tutorial: CSC with VASP PLOs, PrNiO3 #59

Closed the-hampel closed 11 months ago

the-hampel commented 11 months ago

Discussed in https://github.com/TRIQS/solid_dmft/discussions/58

Originally posted by **YUBODRZHANG** October 13, 2023 --- Dear Community Members, I'm currently working through the second tutorial which focuses on the CSC with VASP PLOs for PrNiO3. Unfortunately, I've encountered an error that has halted the code's execution: `AssertionError: Number of bands is inconsistent at ik = 0.` Being new to this particular codebase, I'm somewhat at a loss as to what this issue might be. Any assistance or guidance you could provide would be greatly appreciated. Sincerely, Yubo ERROR
the-hampel commented 11 months ago

Hi @YUBODRZHANG ,

this is now fixed. Please see the current unstable branch (I will backport the changes once all tests passed) of solid_dmft for updated input files: https://github.com/TRIQS/solid_dmft/commit/0fb1c07733b0227b31f3377833eeddfb3074846d

The new tutorial is already online, and replaced the old one in the documentation: https://triqs.github.io/solid_dmft/tutorials/PrNiO3_csc_vasp_plo_cthyb/tutorial.html