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 olympemesca0.bullx on 2021-03-14 at 20:59:07 CET using 16 threads
detecting used PAW program... VASP
initializing PW system...
initializing Augmentations...
recommended basis functions:
Cu 3d 3p 4s 
H 1s 
initializing LCAO system...
setting up local basis functions...
WARNING: You did not specify basis functions for the element H in the lobsterin file.
WARNING: Thus I will default to includeOrbitals spdf for H. Make sure this is ok!
 H (pbeVaspFit2015) 1s 
Cu (pbeVaspFit2015) 4s 3p_y 3p_z 3p_x 4p_y 4p_z 4p_x 3d_xy 3d_yz 3d_z^2 3d_xz 3d_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 14 and upwards will be ignored.
setting up CO interactions... found 1 interaction.
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...
abs. total  spilling:   7.98%
abs. charge spilling:   0.26%

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  0 min  3 s  33 ms of wall time
            0 h  0 min 41 s 870 ms of user time
            0 h  0 min  0 s 440 ms of sys  time
