Total correction of the ZPM (eV) for 3 Q points Kpt: [ 0. 0. 0.] -0.545513028048 1.68729405284 1.68729405284 1.68729405284 -1.48781278642 -1.48781278642 -1.48781278642 -1.09353607173 -0.478687485974 1.22956130381 Kpt: [ 0.5 0. 0. ] 0.0983117874874 -0.096955763207 1.52510198647 1.52510198647 -0.707919121894 -2.85247101125 -2.85247101125 -0.262273204143 -0.304049389447 0.0561108489443 Kpt: [ 0. 0.5 0. ] 0.671174855337 -0.256843234353 0.659797273187 0.659797273187 -0.27785767697 -0.897928107711 -0.897928107711 -1.56327083205 -0.238294498418 -2.83219204377 Kpt: [ 0.5 0.5 0. ] 0.0716423657001 0.0716423657001 -0.120769598434 -0.120769598434 -0.525290233906 -0.525290233906 0.827953677535 0.827953677535 -1.0811173844 -1.0811173844 Kpt: [ 0. 0. 0.5] 0.643293372241 -0.397484078356 0.764911854927 0.764911854927 -0.436584267502 -1.01100534565 -1.01100534565 -1.71388304209 -0.268487392791 -1.5809394247 Kpt: [ 0.5 0. 0.5] 0.0954781278945 0.0477660630911 -0.120790941599 -0.120790941599 -0.525063582421 -0.525063582421 0.827868956628 0.827868956628 -1.08145203646 -1.08145203646 Kpt: [ 0. 0.5 0.5] 0.0716198471749 0.0716198471749 -0.120925363994 -0.120925363994 -0.525907518804 -0.525907518804 0.828248835383 0.828248835383 -1.07844057164 -1.07844057164 Kpt: [ 0.5 0.5 0.5] 0.644973617769 -0.397327540846 0.764924087471 0.764924087471 -0.435666332381 -1.01045387784 -1.01045387784 -1.71397121186 -0.26798944148 -1.41649746 Temperature dependence at Gamma Band: 0 0.0 -0.545513028048 100.0 -0.555802260164 200.0 -0.651665373287 300.0 -0.803062239024 400.0 -0.975826578765 500.0 -1.15851197293 600.0 -1.3466628162 700.0 -1.53819056738 800.0 -1.73196901473 900.0 -1.92732826635 Band: 1 0.0 1.68729405284 100.0 1.69653001596 200.0 1.77321253463 300.0 1.89276684883 400.0 2.03028306339 500.0 2.17901788481 600.0 2.33674906415 700.0 2.50205542851 800.0 2.67367508337 900.0 2.85048703207 Band: 2 0.0 1.68729405284 100.0 1.69653001596 200.0 1.77321253463 300.0 1.89276684883 400.0 2.03028306339 500.0 2.17901788481 600.0 2.33674906415 700.0 2.50205542851 800.0 2.67367508337 900.0 2.85048703207 Band: 3 0.0 1.68729405284 100.0 1.69653001596 200.0 1.77321253463 300.0 1.89276684883 400.0 2.03028306339 500.0 2.17901788481 600.0 2.33674906415 700.0 2.50205542851 800.0 2.67367508337 900.0 2.85048703207 Band: 4 0.0 -1.48781278642 100.0 -1.49732794043 200.0 -1.584794135 300.0 -1.72264235523 400.0 -1.88105383886 500.0 -2.0512359937 600.0 -2.23005887577 700.0 -2.41575532791 800.0 -2.60699080253 900.0 -2.80268886769 Band: 5 0.0 -1.48781278642 100.0 -1.49732794043 200.0 -1.584794135 300.0 -1.72264235523 400.0 -1.88105383886 500.0 -2.0512359937 600.0 -2.23005887577 700.0 -2.41575532791 800.0 -2.60699080253 900.0 -2.80268886769 Band: 6 0.0 -1.48781278642 100.0 -1.49732794043 200.0 -1.584794135 300.0 -1.72264235523 400.0 -1.88105383886 500.0 -2.0512359937 600.0 -2.23005887577 700.0 -2.41575532791 800.0 -2.60699080253 900.0 -2.80268886769 Band: 7 0.0 -1.09353607173 100.0 -1.12109192063 200.0 -1.37171949923 300.0 -1.7651458762 400.0 -2.21318637934 500.0 -2.68631220472 600.0 -3.17300977357 700.0 -3.66791742251 800.0 -4.16818734169 900.0 -4.67215778984 Band: 8 0.0 -0.478687485974 100.0 -0.489283300595 200.0 -0.590078746235 300.0 -0.750055873863 400.0 -0.932835344928 500.0 -1.12615015113 600.0 -1.32521348029 700.0 -1.52778906172 800.0 -1.73268098082 900.0 -1.93918522099 Band: 9 0.0 1.22956130381 100.0 1.28788685793 200.0 1.66514215262 300.0 2.18648181605 400.0 2.7565204965 500.0 3.34792134516 600.0 3.95057706885 700.0 4.55991966978 800.0 5.17357367683 900.0 5.79017494854 Fan/DDW contribution at Gamma: Band: 0 FAN: -0.743354367674 DDW: 0.197841339626 TOTAL: -0.545513028048 Band: 1 FAN: -2.18969605971 DDW: 3.87699011255 TOTAL: 1.68729405284 Band: 2 FAN: -2.18969605971 DDW: 3.87699011255 TOTAL: 1.68729405284 Band: 3 FAN: -2.18969605971 DDW: 3.87699011255 TOTAL: 1.68729405284 Band: 4 FAN: -4.06563248822 DDW: 2.5778197018 TOTAL: -1.48781278642 Band: 5 FAN: -4.06563248822 DDW: 2.5778197018 TOTAL: -1.48781278642 Band: 6 FAN: -4.06563248822 DDW: 2.5778197018 TOTAL: -1.48781278642 Band: 7 FAN: -1.40362076669 DDW: 0.310084694958 TOTAL: -1.09353607173 Band: 8 FAN: 0.181934238464 DDW: -0.660621724438 TOTAL: -0.478687485974 Band: 9 FAN: 1.81828681084 DDW: -0.588725507035 TOTAL: 1.22956130381 Runtime: 0 seconds (or 0.0 minutes)