LOBSTER v3.2.0 (g++ 5.4.0)
Copyright (C) 2019 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 mb-ivy205.cism.ucl.ac.be on 2019-10-08 at 20:25:15 CEST using 8 threads
detecting used PAW program... VASP
initializing PW system...
initializing Augmentations...
recommended basis functions:
K 3p 3s 4s 
O 2p 2s 
Sn 4d 5p 5s 
initializing LCAO system...
setting up local basis functions...
 K (pbeVaspFit2015) 3s 4s 3p_y 3p_z 3p_x 
 O (pbeVaspFit2015) 2s 2p_y 2p_z 2p_x 
Sn (pbeVaspFit2015) 5s 5p_y 5p_z 5p_x 4d_xy 4d_yz 4d_z^2 4d_xz 4d_x^2-y^2 
setting up CO interactions... found 520 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...
spillings for spin channel 1
abs. total  spilling:   6.31%
abs. charge spilling:   0.80%

spillings for spin channel 2
abs. total  spilling:   6.33%
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 CHARGE.lobster and GROSSPOP.lobster...



