LOBSTER v4.1.0 (g++ 7.5.0)
Copyright (C) 2021 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, A. L. Tchougreeff and R. Dronskowski
starting on host sv2001 on 2021-08-20 at 08:17:33 CEST using 16 threads
detecting used PAW program... VASP
initializing PW system...
initializing Augmentations...
recommended basis functions:
La 4f 5d 5p 5s 6s 
N 2p 2s 
O 2p 2s 
Ta 5d 5p 6s 
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 
La (pbeVaspFit2015) 5s 6s 5p_y 5p_z 5p_x 5d_xy 5d_yz 5d_z^2 5d_xz 5d_x^2-y^2 4f_y(3x^2-y^2) 4f_xyz 4f_yz^2 4f_z^3 4f_xz^2 4f_z(x^2-y^2) 4f_x(x^2-3y^2) 
Ta (pbeVaspFit2015) 6s 5p_y 5p_z 5p_x 5d_xy 5d_yz 5d_z^2 5d_xz 5d_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 39 and upwards will be ignored.
setting up CO interactions... found 404 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...
saving projection to projectionData.lobster...
abs. total  spilling:   3.58%
abs. charge spilling:   0.80%

calculating pDOS... using Gaussian smearing integration (sigma=0.05eV)
writing DOSCAR.lobster...
writing COOPCAR.lobster and ICOOPLIST.lobster...
calculating pCOHPs... using Gaussian smearing integration (sigma=0.05eV)
writing COHPCAR.lobster and ICOHPLIST.lobster...
writing COBICAR.lobster and ICOBILIST.lobster...
writing CHARGE.lobster and GROSSPOP.lobster...
calculating Madelung energies...
writing SitePotentials.lobster and MadelungEnergies.lobster...
finished in 0 h 46 min 45 s 976 ms of wall time
            11 h 40 min 19 s 570 ms of user time
            0 h  0 min 10 s 730 ms of sys  time
