wannier90 SOC bug
Dear All, It prints the following errors when doing a wannier90 calculations of graphene with SOC. It happens after the second running "oct-wannier90" using either the projection or SCDM method.
**************************** FATAL ERROR *****************************
*** Fatal Error (description follows)
*--------------------------------------------------------------------
* From node = 0
*--------------------------------------------------------------------
* Node 0:
* Assertion "size(jpvt) >= mesh%np_global*st%d%dim"
* failed in line 1841 of file "states/states_elec_calc_inc.F90".
* This should not happen and is likely a bug in the code.
* Please contact the developers and report how this occurred.
* You can open an issue on gitlab as described in Contributing.md.
*
*--------------------------------------------------------------------
* Stack: > utils/wannier90_interface.F90.wannier90_output > states/states_elec_calc_inc.F90.zstates_elec_rrqr_decomposition
**********************************************************************
Abort(999) on node 0 (rank 0 in comm 0): application called MPI_Abort(MPI_COMM_WORLD, 999) - process 0
The input files are as follows, inpw90.win
In addition, it works fine if without SOC.
Thanks.
Roc
Edited by Henri Menke