[Wannier] Error reported when running postw90.x

dwz dwz4587 at 163.com
Thu Nov 14 03:51:22 CET 2013


Dear Wannier developers & experts
I am using  vasp2wannier , but when running postw90.x , Error: Problem opening input file wannier90.spn  .
Here is my work :
1. Run vasp with LWANNIER90=.TRUE. -tag in INCAR and the vasp2wannier function will yield the wannier.win  wannier.amn  wannier.mmn and  wannier.wout   files.
2.  Run wannier to cal the MLWF
3.  Add some Berry curvature plots parameters in wannier.win  as example18 in the Wannier tutorial book , reading
 fermi_energy = [insert your value here]
 berry_curv_unit = bohr2
 kpath = true
 kpath_task = bands+curv
 kpath_bands_colour = spin
 kpath_num_points = 1000
4. Run postw90.x . Then is my bug report in wannier.wpout file  Error: Problem opening input file wannier90.spn  . 
 
Since most calculations in official wannier mtrls are performed by pw2wannier ,   the lack of vasp2wannier info make my situation really murky .So, how to avoid postw.x reading wannier90.spn ? If the spn file is really necessary , how to generate it ? It seems that pw2wannier can generate this file ,does vasp2wannier function also do (if so , should I add some extra tag in INCAR file ) ?
 
Any response will be appreciated
 
Best !
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