[Wannier] (no subject)
r zh
rzhao51 at yahoo.com
Thu May 5 13:07:19 CEST 2016
Dear Wannier professors: I happend the followed questions or errors when I calculate the band structure of CdSe which include 8 atoms.I'm starting use WANNIER90 to get bandstructure of any systems,so I do'nt kown how to solve it ,can you help?Thanks in advnce.sincerelyranwannier90.wout :
''' 0 0.128E+05 0.0000000000 12835.6579533556 1.44 <-- CONV
O_D= 10292.2348039 O_OD= 2372.0187820 O_TOT= 12835.6579534 <-- SPRD
------------------------------------------------------------------------------
Cycle: 1
wann_main: ZHEEV in internal_new_u_and_m failed, info= 65
trying Schur decomposition instead
wann_main: SCHUR failed, info= 66
Exiting.......
wann_main: problem computing schur form 1'''
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