Yambo Community Forum

Code: Select all

 <---> DBs path set to : .
 <---> detected QE data format : qexsd-hdf5
 <---> == PWscf v.6.x generated data (QEXSD-HDF5 fmt) ==
 <---> Header/K-points/Energies... done
 <---> Cell data...
 <---> [WARNING]Two or more crystal structures fit the given cell done
 <---> Atomic data... done
......
 <---> == DB1 (Gvecs and more) ...
 <---> ... Database done
 <---> == DB2 (wavefunctions)  ...
 <---> [p2y] WF I/O |                                        | [000%] --(E) --(X
 <---> [p2y] WF I/O |########################################| [100%] --(E) --(X) done ==
 <---> == DB3 (PseudoPotential) ...               file ./Cu.pbesol-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s)  3D renormalized

[ERROR] Writing File ./SAVE//ns.uspp_pp_pwscf; Variable nhtoj; NetCDF: Numeric conversion not representable

Code: Select all

dimensions:
	D_0000000003 = 3 ;
	D_0000000001 = 1 ;
	D_0000000002 = 2 ;
	D_0000000005 = 5 ;
	D_0000000004 = 4 ;
	D_0000000010 = 10 ;
	D_0000000006 = 6 ;
	D_0000000018 = 18 ;
variables:
	......
	float nhtoj(D_0000000003, D_0000000018) ;
data:

 nhtoj =
  0, 3.370452e+30, 0, 0, -Infinityf, 0, -Infinityf, 0, 0, 0, 0, 0, 0, 0, 0,
    Infinityf, 0, 0,
  Infinityf, 0, 0, -Infinityf, -5.6295e+14, 0, 0, NaNf, NaNf, NaNf, 0, 0,
    Infinityf, Infinityf, 0, 0, 0, 0,
  0, 0, 0, 0, 0, Infinityf, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 5.140654e+25, 0 ;