Program WANNIER_HAM v.6.1 (svn rev. 13369) starts on 18Sep2017 at 0:12:10 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 1 processors Reading data from directory: ./tmp/g-l-20-atom.save Info: using nr1, nr2, nr3 values from input Info: using nr1, nr2, nr3 values from input IMPORTANT: XC functional enforced from input : Exchange-correlation = PBE ( 1 4 3 4 0 0) Any further DFT definition will be discarded Please, verify this is what you really want G-vector sticks info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Sum 4779 1913 537 531217 134449 20099 Generating pointlists ... new r_m : 0.0502 (alat units) 0.9480 (a.u.) for type 1 new r_m : 0.0604 (alat units) 1.1399 (a.u.) for type 2 Check: negative/imaginary core charge= -0.000002 0.000000 negative rho (up, down): 3.028E-04 3.028E-04 Spin 1 Wannier # 1 centered on atom C (position 0.17941 0.41956 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=0, m=1 Wannier # 2 centered on atom C (position 0.17941 0.41956 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=1 Wannier # 3 centered on atom C (position 0.17941 0.41956 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=2 Wannier # 4 centered on atom C (position 0.17941 0.41956 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=3 Wannier # 5 centered on atom C (position 0.05000 0.07551 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=0, m=1 Wannier # 6 centered on atom C (position 0.05000 0.07551 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=1 Wannier # 7 centered on atom C (position 0.05000 0.07551 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=2 Wannier # 8 centered on atom C (position 0.05000 0.07551 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=3 Wannier # 9 centered on atom C (position 0.05004 0.48634 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=0, m=1 Wannier # 10 centered on atom C (position 0.05004 0.48634 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=1 Wannier # 11 centered on atom C (position 0.05004 0.48634 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=2 Wannier # 12 centered on atom C (position 0.05004 0.48634 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=3 Wannier # 13 centered on atom C (position 0.17938 0.14235 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=0, m=1 Wannier # 14 centered on atom C (position 0.17938 0.14235 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=1 Wannier # 15 centered on atom C (position 0.17938 0.14235 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=2 Wannier # 16 centered on atom C (position 0.17938 0.14235 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=3 Wannier # 17 centered on atom C (position 0.42060 0.41958 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=0, m=1 Wannier # 18 centered on atom C (position 0.42060 0.41958 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=1 Wannier # 19 centered on atom C (position 0.42060 0.41958 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=2 Wannier # 20 centered on atom C (position 0.42060 0.41958 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=3 Wannier # 21 centered on atom C (position 0.30001 0.06089 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=0, m=1 Wannier # 22 centered on atom C (position 0.30001 0.06089 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=1 Wannier # 23 centered on atom C (position 0.30001 0.06089 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=2 Wannier # 24 centered on atom C (position 0.30001 0.06089 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=3 Wannier # 25 centered on atom C (position 0.30003 0.50106 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=0, m=1 Wannier # 26 centered on atom C (position 0.30003 0.50106 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=1 Wannier # 27 centered on atom C (position 0.30003 0.50106 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=2 Wannier # 28 centered on atom C (position 0.30003 0.50106 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=3 Wannier # 29 centered on atom C (position 0.42061 0.14239 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=0, m=1 Wannier # 30 centered on atom C (position 0.42061 0.14239 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=1 Wannier # 31 centered on atom C (position 0.42061 0.14239 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=2 Wannier # 32 centered on atom C (position 0.42061 0.14239 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=3 Wannier # 33 centered on atom C (position 0.37337 0.28098 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=0, m=1 Wannier # 34 centered on atom C (position 0.37337 0.28098 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=1 Wannier # 35 centered on atom C (position 0.37337 0.28098 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=2 Wannier # 36 centered on atom C (position 0.37337 0.28098 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=3 Wannier # 37 centered on atom N (position 0.22658 0.28097 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=0, m=1 Wannier # 38 centered on atom N (position 0.22658 0.28097 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=1 Wannier # 39 centered on atom N (position 0.22658 0.28097 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=2 Wannier # 40 centered on atom N (position 0.22658 0.28097 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=3 Wannier # 41 centered on atom C (position 0.67941 0.41956 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=0, m=1 Wannier # 42 centered on atom C (position 0.67941 0.41956 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=1 Wannier # 43 centered on atom C (position 0.67941 0.41956 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=2 Wannier # 44 centered on atom C (position 0.67941 0.41956 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=3 Wannier # 45 centered on atom C (position 0.55000 0.07551 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=0, m=1 Wannier # 46 centered on atom C (position 0.55000 0.07551 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=1 Wannier # 47 centered on atom C (position 0.55000 0.07551 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=2 Wannier # 48 centered on atom C (position 0.55000 0.07551 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=3 Wannier # 49 centered on atom C (position 0.55004 0.48634 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=0, m=1 Wannier # 50 centered on atom C (position 0.55004 0.48634 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=1 Wannier # 51 centered on atom C (position 0.17941 0.41956 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=0, m=1 Wannier # 52 centered on atom C (position 0.17941 0.41956 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=1 Wannier # 53 centered on atom C (position 0.17941 0.41956 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=2 Wannier # 54 centered on atom C (position 0.17941 0.41956 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=3 Wannier # 55 centered on atom C (position 0.05000 0.07551 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=0, m=1 Wannier # 56 centered on atom C (position 0.05000 0.07551 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=1 Wannier # 57 centered on atom C (position 0.05000 0.07551 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=2 Wannier # 58 centered on atom C (position 0.05000 0.07551 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=3 Wannier # 59 centered on atom C (position 0.05004 0.48634 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=0, m=1 Wannier # 60 centered on atom C (position 0.05004 0.48634 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=1 Wannier # 61 centered on atom C (position 0.05004 0.48634 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=2 Wannier # 62 centered on atom C (position 0.05004 0.48634 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=3 Wannier # 63 centered on atom C (position 0.17938 0.14235 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=0, m=1 Wannier # 64 centered on atom C (position 0.17938 0.14235 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=1 Wannier # 65 centered on atom C (position 0.17938 0.14235 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=2 Wannier # 66 centered on atom C (position 0.17938 0.14235 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=3 Wannier # 67 centered on atom C (position 0.42060 0.41958 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=0, m=1 Wannier # 68 centered on atom C (position 0.42060 0.41958 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=1 Wannier # 69 centered on atom C (position 0.42060 0.41958 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=2 Wannier # 70 centered on atom C (position 0.42060 0.41958 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=3 Wannier # 71 centered on atom C (position 0.30001 0.06089 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=0, m=1 Wannier # 72 centered on atom C (position 0.30001 0.06089 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=1 Wannier # 73 centered on atom C (position 0.30001 0.06089 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=2 Wannier # 74 centered on atom C (position 0.30001 0.06089 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=3 Wannier # 75 centered on atom C (position 0.30003 0.50106 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=0, m=1 Wannier # 76 centered on atom C (position 0.30003 0.50106 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=1 Wannier # 77 centered on atom C (position 0.30003 0.50106 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=2 Wannier # 78 centered on atom C (position 0.30003 0.50106 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=3 Wannier # 79 centered on atom C (position 0.42061 0.14239 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=0, m=1 Wannier # 80 centered on atom C (position 0.42061 0.14239 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=1 Spin 2 Wannier # 1 centered on atom C (position 0.17941 0.41956 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=0, m=1 Wannier # 2 centered on atom C (position 0.17941 0.41956 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=1 Wannier # 3 centered on atom C (position 0.17941 0.41956 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=2 Wannier # 4 centered on atom C (position 0.17941 0.41956 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=3 Wannier # 5 centered on atom C (position 0.05000 0.07551 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=0, m=1 Wannier # 6 centered on atom C (position 0.05000 0.07551 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=1 Wannier # 7 centered on atom C (position 0.05000 0.07551 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=2 Wannier # 8 centered on atom C (position 0.05000 0.07551 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=3 Wannier # 9 centered on atom C (position 0.05004 0.48634 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=0, m=1 Wannier # 10 centered on atom C (position 0.05004 0.48634 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=1 Wannier # 11 centered on atom C (position 0.05004 0.48634 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=2 Wannier # 12 centered on atom C (position 0.05004 0.48634 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=3 Wannier # 13 centered on atom C (position 0.17938 0.14235 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=0, m=1 Wannier # 14 centered on atom C (position 0.17938 0.14235 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=1 Wannier # 15 centered on atom C (position 0.17938 0.14235 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=2 Wannier # 16 centered on atom C (position 0.17938 0.14235 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=3 Wannier # 17 centered on atom C (position 0.42060 0.41958 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=0, m=1 Wannier # 18 centered on atom C (position 0.42060 0.41958 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=1 Wannier # 19 centered on atom C (position 0.42060 0.41958 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=2 Wannier # 20 centered on atom C (position 0.42060 0.41958 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=3 Wannier # 21 centered on atom C (position 0.30001 0.06089 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=0, m=1 Wannier # 22 centered on atom C (position 0.30001 0.06089 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=1 Wannier # 23 centered on atom C (position 0.30001 0.06089 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=2 Wannier # 24 centered on atom C (position 0.30001 0.06089 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=3 Wannier # 25 centered on atom C (position 0.30003 0.50106 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=0, m=1 Wannier # 26 centered on atom C (position 0.30003 0.50106 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=1 Wannier # 27 centered on atom C (position 0.30003 0.50106 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=2 Wannier # 28 centered on atom C (position 0.30003 0.50106 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=3 Wannier # 29 centered on atom C (position 0.42061 0.14239 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=0, m=1 Wannier # 30 centered on atom C (position 0.42061 0.14239 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=1 Wannier # 31 centered on atom C (position 0.42061 0.14239 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=2 Wannier # 32 centered on atom C (position 0.42061 0.14239 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=3 Wannier # 33 centered on atom C (position 0.37337 0.28098 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=0, m=1 Wannier # 34 centered on atom C (position 0.37337 0.28098 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=1 Wannier # 35 centered on atom C (position 0.37337 0.28098 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=2 Wannier # 36 centered on atom C (position 0.37337 0.28098 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=3 Wannier # 37 centered on atom N (position 0.22658 0.28097 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=0, m=1 Wannier # 38 centered on atom N (position 0.22658 0.28097 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=1 Wannier # 39 centered on atom N (position 0.22658 0.28097 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=2 Wannier # 40 centered on atom N (position 0.22658 0.28097 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=3 Wannier # 41 centered on atom C (position 0.67941 0.41956 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=0, m=1 Wannier # 42 centered on atom C (position 0.67941 0.41956 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=1 Wannier # 43 centered on atom C (position 0.67941 0.41956 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=2 Wannier # 44 centered on atom C (position 0.67941 0.41956 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=3 Wannier # 45 centered on atom C (position 0.55000 0.07551 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=0, m=1 Wannier # 46 centered on atom C (position 0.55000 0.07551 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=1 Wannier # 47 centered on atom C (position 0.55000 0.07551 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=2 Wannier # 48 centered on atom C (position 0.55000 0.07551 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=3 Wannier # 49 centered on atom C (position 0.55004 0.48634 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=0, m=1 Wannier # 50 centered on atom C (position 0.55004 0.48634 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=1 Wannier # 51 centered on atom C (position 0.55004 0.48634 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=2 Wannier # 52 centered on atom C (position 0.55004 0.48634 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=3 Wannier # 53 centered on atom C (position 0.67938 0.14235 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=0, m=1 Wannier # 54 centered on atom C (position 0.67938 0.14235 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=1 Wannier # 55 centered on atom C (position 0.67938 0.14235 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=2 Wannier # 56 centered on atom C (position 0.67938 0.14235 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=3 Wannier # 57 centered on atom C (position 0.92060 0.41958 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=0, m=1 Wannier # 58 centered on atom C (position 0.92060 0.41958 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=1 Wannier # 59 centered on atom C (position 0.92060 0.41958 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=2 Wannier # 60 centered on atom C (position 0.92060 0.41958 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=3 Wannier # 61 centered on atom C (position 0.80001 0.06089 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=0, m=1 Wannier # 62 centered on atom C (position 0.80001 0.06089 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=1 Wannier # 63 centered on atom C (position 0.80001 0.06089 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=2 Wannier # 64 centered on atom C (position 0.80001 0.06089 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=3 Wannier # 65 centered on atom C (position 0.80003 0.50106 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=0, m=1 Wannier # 66 centered on atom C (position 0.80003 0.50106 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=1 Wannier # 67 centered on atom C (position 0.80003 0.50106 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=2 Wannier # 68 centered on atom C (position 0.80003 0.50106 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=1, m=3 Wannier # 69 centered on atom C (position 0.92061 0.14239 0.80090 ) Bands for generation: from-1.694 to-0.165 Trial wavefunction ingredients: 1.0000000000 of l=0, m=1