[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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