TRIQS / dft_tools

Interface to DFT codes
https://triqs.github.io/dft_tools
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BUGFIX: negative k vectors in QE nscf.out #206

Closed alberto-carta closed 2 years ago

alberto-carta commented 2 years ago

Removed redundant space in wannier90 converter to account for sitations of the type

k =-0.3333 0.0000 0.0000 ( 10719 PWs) bands (ev):

which with

assert 'k = ' were being neglected

the-hampel commented 2 years ago

thanks @Lidra1 !