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 13:11:45 CST using 1 thread
detecting used PAW program... VASP
initializing PW system...
initializing Augmentations...
recommended basis functions:
N 2p 2s 
O 2p 2s 
initializing LCAO system...
setting up local basis functions...
 N (pbevaspfit2015) 2s 2p_y 2p_z 2p_x 
 O (pbevaspfit2015) 2s 2p_y 2p_z 2p_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 13 and upwards will be ignored.
setting up CO interactions... found 4 interactions.
projecting...
WARNING: Cannot use the tetrahedron method for k-space integration and must fall
WARNING: back to Gaussian smearing which can take significantly longer. Make
WARNING: sure to use the tetrahedron method whenever applicable.

calculating overlaps...
post-processing projection...
spillings for spin channel 1
abs. total  spilling:  17.71%
abs. charge spilling:   1.89%

spillings for spin channel 2
abs. total  spilling:  17.93%
abs. charge spilling:   1.63%

NOTE: The spilling is a measure for the relocation, *not* the absence of electrons.
number of electrons recovered by projection: 17.0000 of 17

calculating pDOS... using Gaussian smearing integration (sigma=0.01eV)
writing DOSCAR.lobster...
writing COOPCAR.lobster...
Writing ICOOPLIST.lobster
calculating pCOHPs... using Gaussian smearing integration (sigma=0.01eV)
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
finished in 0 h  0 min  2 s 404 ms of wall time
            0 h  0 min  2 s 360 ms of user time
            0 h  0 min  0 s  20 ms of sys  time
