LOBSTER v4.0.0 (g++ 5.4.0)
Copyright (C) 2020 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, A. L. Tchougreeff and R. Dronskowski
starting on host olympemesca1.bullx on 2021-03-12 at 16:12:32 CET using 16 threads
detecting used PAW program... VASP
initializing PW system...
initializing Augmentations...
recommended basis functions:
C 2p 2s 
H 1s 
O 2p 2s 
Ru 4d 4p 5s 
initializing LCAO system...
setting up local basis functions...
 C (pbeVaspFit2015) 2s 2p_y 2p_z 2p_x 
 H (pbeVaspFit2015) 1s 
 O (pbeVaspFit2015) 2s 2p_y 2p_z 2p_x 
Ru (pbeVaspFit2015) 5s 4p_y 4p_z 4p_x 4d_xy 4d_yz 4d_z^2 4d_xz 4d_x^2-y^2 
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 138 and upwards will be ignored.
setting up CO interactions... found 52 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:   7.31%
abs. charge spilling:   0.89%

spillings for spin channel 2
abs. total  spilling:   7.62%
abs. charge spilling:   0.77%

calculating pDOS... using Gaussian smearing integration (sigma=0.2eV)
writing DOSCAR.lobster...
writing COOPCAR.lobster and ICOOPLIST.lobster...
calculating pCOHPs... using Gaussian smearing integration (sigma=0.2eV)
writing DensityOfEnergy.lobster...
writing COHPCAR.lobster and ICOHPLIST.lobster...
writing CHARGE.lobster and GROSSPOP.lobster...
finished in 0 h  3 min 19 s 841 ms of wall time
            0 h 38 min 58 s 860 ms of user time
            0 h 10 min 27 s 620 ms of sys  time
