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Print phase factor for plotting MLWF #536

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merged 1 commit into from
Jan 20, 2025

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qiaojunfeng
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@qiaojunfeng qiaojunfeng commented Jan 20, 2025

It seems this additional phase factor is not printed anywhere, can be useful for getting real-valued MLWFs

An example wout:

 *---------------------------------------------------------------------------*
 |                               PLOTTING                                    |
 *---------------------------------------------------------------------------*

      Wannier Function Num:    1       Phase Factor =   -0.986568  +0.163352i
      Wannier Function Num:    2       Phase Factor =    0.906804  -0.421553i
      Wannier Function Num:    3       Phase Factor =   -0.998960  -0.045593i
      Wannier Function Num:    4       Phase Factor =   -0.990599  +0.136798i
 
      Wannier Function Num:    1       Maximum Im/Re Ratio =    0.002908
      Wannier Function Num:    2       Maximum Im/Re Ratio =    0.002997
      Wannier Function Num:    3       Maximum Im/Re Ratio =    0.002438
      Wannier Function Num:    4       Maximum Im/Re Ratio =    0.002222

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I think this is a very sensible addition.

@JeromeCCP9 JeromeCCP9 merged commit 93f4abf into wannier-developers:develop Jan 20, 2025
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@qiaojunfeng qiaojunfeng deleted the print_phase branch January 20, 2025 11:15
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3 participants