LOBSTER v6.0.0 (g++ 9.3.0)
Copyright (C) 2026 by Chair of Solid-State and Quantum Chemistry, RWTH Aachen.
All rights reserved. Contributions by S. Maintz, V. L. Deringer, M. Esser, R. Nelson, C. Ertural, P. C. Mueller, L. S. Reitz, M. Pauls, L. Sann, D. Schnieders, A. L. Tchougreeff, and R. Dronskowski
starting on host login01 on 2026-11-12 at 12:37:02 CST using 1 thread
detecting used PAW program... VASP
initializing PW system...
initializing Augmentations...
recommended basis functions:
Si 3p 3s 
initializing LCAO system...
setting up local basis functions...
Si (pbevaspfit2015) 3s 3p_y 3p_z 3p_x 
INFO: There are more PAW bands than local basis functions available.
INFO: To prevent trouble in orthonormalization and Hamiltonian reconstruction
INFO: the PAW bands from 9 and upwards will be ignored.
setting up CO interactions...
WARNING: You did not specify any COHP pairs in the lobsterin file. As default
WARNING: I will try to find any pairs between 1.0 and 3.0 A distance,
WARNING: but that might be wrong. If you want pCOHPs or pCOOPs, change the lobsterin!
 found 1 interaction.
projecting...
calculating overlaps...
post-processing projection...
abs. total  spilling:  17.97%
abs. charge spilling:   1.46%

NOTE: The spilling is a measure for the relocation, *not* the absence of electrons.
number of electrons recovered by projection: 8.0000 of 8

calculating pDOS...
writing DOSCAR.lobster...
writing atomic orbital densities...
using cutoff 4.54563
writing density of 3s of atom Si1
using cutoff 4.54563
writing density of 3p_y of atom Si1
using cutoff 4.54563
writing density of 3p_z of atom Si1
using cutoff 4.54563
writing density of 3p_x of atom Si1
using cutoff 4.54563
writing density of 3s of atom Si2
using cutoff 4.54563
writing density of 3p_y of atom Si2
using cutoff 4.54563
writing density of 3p_z of atom Si2
using cutoff 4.54563
writing density of 3p_x of atom Si2
writing COOPCAR.lobster...
Writing ICOOPLIST.lobster
calculating pCOHPs...
writing CHARGE.lobster...
Writing GROSSPOP.lobster...
writing polarization to POLARIZATION.lobster...
calculating Madelung energies...
writing SitePotentials.lobster and MadelungEnergies.lobster...
writing Valences.lobster...
writing OxidationScores.lobster...
writing COHPCAR.lobster...
Writing ICOHPLIST.lobster
writing COBICAR.lobster...
Writing ICOBILIST.lobster
Setting up molecule fragments... found 1 manually defined molecule fragments...
INFO: No errors detected in LCFO definition...
automatically searching point group for molecule Si2
point group of molecule Si2 is Duh
INFO: No atoms to add to the LCFO basis.
Transforming AO basis to MO basis...
Writing fragment molecular orbitals
Setting up molecular interactions... found 0 interactions.
calculating pMODOS...
writing DOSCAR.LCFO.lobster...
Writing MOFECAR.lobster and IMOFELIST.lobster...
finished in 0 h  1 min 13 s 333 ms of wall time
            0 h  1 min 12 s 770 ms of user time
            0 h  0 min  0 s 150 ms of sys  time
