about Projected transmissions
hellow
as I use the following setup to project transmissions:
%block TBT.Projs
M_L
%endblock
%block TBT.Proj.M_L
atom [59,60,69,70,81,82]
Gamma .true.
proj HOMO
level -1
end
proj LUMO
level 1
end
%endblock
I get the folowing information:
Error occured in NCDF:
NetCDF: Not a valid ID
Status number: -33
ncdf: Stopped due to error in NetCDF file
Program aborted. Backtrace:
#0 0x7F611CEB4467
#1 0x7F611CEB5C42
#2 0x7F611CF8A4E8
#3 0x658799 in __nf_ncdf_
#4 0x658AB2 in __nf_ncdf_
#5 0x67DA1E in __nf_ncdf_
#6 0x6136B9 in __m_tbt_
#7 0x60795C in __m_tbt_
#8 0x603A87 in __m_tbtrans_MOD_tbt
I wonder if it is due to my setup or the code.
Question information
- Language:
- English Edit question
- Status:
- Answered
- For:
- Siesta Edit question
- Assignee:
- Nick Papior Edit question
- Last query:
- Last reply:
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