I am trying to get data from Octopus into Yambo by using the etsf file format. For the moment I succeded in creating a Yambo db with e2y from an Octopus generated file.
The first problem I am having is that the number of electrons reported is -1. This is the output of yambo -D
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[RD./SAVE//ns.db1]------------------------------------------
Bands : 16
K-points : 4
G-vectors [RL space]: 1
Components [wavefunctions]: 1
Symmetries [spatial+T-rev]: 48
Spinor components : 1
Spin polarizations : 1
Temperature [ev]: 0.000000
Electrons :-1.000000
WF G-vectors : 1
Max atoms/species : 8
No. of atom species : 1
- S/N 008615 ---------------------------- v.03.02.03 r.696 -
[RD./SAVE//ns.wf]-------------------------------------------
Bands in each block : 16
Blocks : 1
- S/N 008615 ---------------------------- v.03.02.03 r.696 -
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<---> [01] Files & I/O Directories
<---> [02] CORE Variables Setup
<---> [02.01] Unit cells
<---> [02.02] Symmetries
<---> [02.03] RL shells
<---> [02.04] K-grid lattice
<---> [02.05] Energies [ev] & Occupations
[ERROR] STOP signal received while in :[02.05] Energies [ev] & Occupations
[ERROR]Impossible to converge the Fermi Level
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default_nel = -1 ! Until fixed in ETSF file. Is calculated later.
About the lines
G-vectors [RL space]: 1
Components [wavefunctions]: 1
does it mean that e2y didn't read the wave-functions properly? Octopus writes the functions in real-space in the ETSF file.
Thanks