! Pwscf input file created with ciftopw.py ! Compound: AgRhO2 &control calculation = 'bands' prefix = 'AgRhO2' restart_mode = 'from_scratch' outdir = './' wf_collect = .true. verbosity = 'high' / &system ibrav = 14 celldm(1) = 12.1796709400689576 celldm(2) = 1.0000000000000000 celldm(3) = 0.9999999999999997 celldm(4) = 0.8866453350257137 celldm(5) = 0.8866453350257137 celldm(6) = 0.8866453350257136 nat = 4 ntyp = 3 ecutwfc = 55.00000000 ecutrho = 364.00000000 occupations = 'smearing' smearing = 'f-d' degauss = 1.00000000e-03 noncolin = .true. lspinorb = .true. / &electrons conv_thr = 1.00000000e-05 mixing_beta = 3.00000000e-01 / ATOMIC_SPECIES O 15.9994 O.rel-pbe-n-rrkjus_psl.1.0.0.UPF Rh 102.9055 Rh.rel-pbe-spn-rrkjus_psl.1.0.0.UPF Ag 107.8682 Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF ATOMIC_POSITIONS crystal K_POINTS crystal 385 0.00000000 0.00000000 0.00000000 1.0 0.00833333 0.00000000 0.00000000 1.0 0.01666667 0.00000000 0.00000000 1.0 0.02500000 0.00000000 0.00000000 1.0 0.03333333 0.00000000 0.00000000 1.0 0.04166667 0.00000000 0.00000000 1.0 0.05000000 0.00000000 0.00000000 1.0 0.05833333 0.00000000 0.00000000 1.0 0.06666667 0.00000000 0.00000000 1.0 0.07500000 0.00000000 0.00000000 1.0 0.08333333 0.00000000 0.00000000 1.0 0.09166667 0.00000000 0.00000000 1.0 0.10000000 0.00000000 0.00000000 1.0 0.10833333 0.00000000 -0.00000000 1.0 0.11666667 0.00000000 0.00000000 1.0 0.12500000 0.00000000 0.00000000 1.0 0.13333333 0.00000000 0.00000000 1.0 0.14166667 0.00000000 0.00000000 1.0 0.15000000 0.00000000 0.00000000 1.0 0.15833333 0.00000000 0.00000000 1.0 0.16666667 0.00000000 0.00000000 1.0 0.17500000 0.00000000 -0.00000000 1.0 0.18333333 0.00000000 0.00000000 1.0 0.19166667 0.00000000 0.00000000 1.0 0.20000000 0.00000000 0.00000000 1.0 0.20833333 0.00000000 0.00000000 1.0 0.21666667 0.00000000 -0.00000000 1.0 0.22500000 0.00000000 0.00000000 1.0 0.23333333 0.00000000 0.00000000 1.0 0.24166667 0.00000000 -0.00000000 1.0 0.25000000 0.00000000 0.00000000 1.0 0.25833333 0.00000000 -0.00000000 1.0 0.26666667 0.00000000 0.00000000 1.0 0.27500000 0.00000000 0.00000000 1.0 0.28333333 0.00000000 0.00000000 1.0 0.29166667 0.00000000 0.00000000 1.0 0.30000000 0.00000000 0.00000000 1.0 0.30833333 0.00000000 0.00000000 1.0 0.31666667 0.00000000 0.00000000 1.0 0.32500000 0.00000000 0.00000000 1.0 0.33333333 0.00000000 0.00000000 1.0 0.34166667 0.00000000 0.00000000 1.0 0.35000000 0.00000000 -0.00000000 1.0 0.35833333 0.00000000 0.00000000 1.0 0.36666667 0.00000000 0.00000000 1.0 0.37500000 0.00000000 0.00000000 1.0 0.38333333 0.00000000 0.00000000 1.0 0.39166667 0.00000000 -0.00000000 1.0 0.40000000 0.00000000 0.00000000 1.0 0.40833333 0.00000000 0.00000000 1.0 0.41666667 0.00000000 0.00000000 1.0 0.42500000 0.00000000 0.00000000 1.0 0.43333333 0.00000000 -0.00000000 1.0 0.44166667 0.00000000 -0.00000000 1.0 0.45000000 0.00000000 0.00000000 1.0 0.45833333 0.00000000 0.00000000 1.0 0.46666667 0.00000000 0.00000000 1.0 0.47500000 0.00000000 -0.00000000 1.0 0.48333333 0.00000000 -0.00000000 1.0 0.49166667 0.00000000 0.00000000 1.0 0.50000000 0.00000000 0.00000000 1.0 0.50000000 0.00000000 0.00000000 1.0 0.50000000 0.00487274 -0.00487274 1.0 0.50000000 0.00974547 -0.00974547 1.0 0.50000000 0.01461821 -0.01461821 1.0 0.50000000 0.01949094 -0.01949094 1.0 0.50000000 0.02436368 -0.02436368 1.0 0.50000000 0.02923642 -0.02923642 1.0 0.50000000 0.03410915 -0.03410915 1.0 0.50000000 0.03898189 -0.03898189 1.0 0.50000000 0.04385462 -0.04385462 1.0 0.50000000 0.04872736 -0.04872736 1.0 0.50000000 0.05360010 -0.05360010 1.0 0.50000000 0.05847283 -0.05847283 1.0 0.50000000 0.06334557 -0.06334557 1.0 0.50000000 0.06821831 -0.06821831 1.0 0.50000000 0.07309104 -0.07309104 1.0 0.50000000 0.07796378 -0.07796378 1.0 0.50000000 0.08283651 -0.08283651 1.0 0.50000000 0.08770925 -0.08770925 1.0 0.50000000 0.09258199 -0.09258199 1.0 0.50000000 0.09745472 -0.09745472 1.0 0.50000000 0.10232746 -0.10232746 1.0 0.50000000 0.10720019 -0.10720019 1.0 0.50000000 0.11207293 -0.11207293 1.0 0.50000000 0.11694567 -0.11694567 1.0 0.50000000 0.12181840 -0.12181840 1.0 0.50000000 0.12669114 -0.12669114 1.0 0.50000000 0.13156387 -0.13156387 1.0 0.50000000 0.13643661 -0.13643661 1.0 0.50000000 0.14130935 -0.14130935 1.0 0.50000000 0.14618208 -0.14618208 1.0 0.50000000 0.15105482 -0.15105482 1.0 0.50000000 0.15592755 -0.15592755 1.0 0.50000000 0.16080029 -0.16080029 1.0 0.50000000 0.16567303 -0.16567303 1.0 0.50000000 0.17054576 -0.17054576 1.0 0.50000000 0.17541850 -0.17541850 1.0 0.50000000 0.18029124 -0.18029124 1.0 0.81970876 0.50000000 0.18029124 1.0 0.81486469 0.50000000 0.18513531 1.0 0.81002062 0.50000000 0.18997938 1.0 0.80517655 0.50000000 0.19482345 1.0 0.80033248 0.50000000 0.19966752 1.0 0.79548840 0.50000000 0.20451160 1.0 0.79064433 0.50000000 0.20935567 1.0 0.78580026 0.50000000 0.21419974 1.0 0.78095619 0.50000000 0.21904381 1.0 0.77611212 0.50000000 0.22388788 1.0 0.77126804 0.50000000 0.22873196 1.0 0.76642397 0.50000000 0.23357603 1.0 0.76157990 0.50000000 0.23842010 1.0 0.75673583 0.50000000 0.24326417 1.0 0.75189175 0.50000000 0.24810825 1.0 0.74704768 0.50000000 0.25295232 1.0 0.74220361 0.50000000 0.25779639 1.0 0.73735954 0.50000000 0.26264046 1.0 0.73251547 0.50000000 0.26748453 1.0 0.72767139 0.50000000 0.27232861 1.0 0.72282732 0.50000000 0.27717268 1.0 0.71798325 0.50000000 0.28201675 1.0 0.71313918 0.50000000 0.28686082 1.0 0.70829510 0.50000000 0.29170490 1.0 0.70345103 0.50000000 0.29654897 1.0 0.69860696 0.50000000 0.30139304 1.0 0.69376289 0.50000000 0.30623711 1.0 0.68891882 0.50000000 0.31108118 1.0 0.68407474 0.50000000 0.31592526 1.0 0.67923067 0.50000000 0.32076933 1.0 0.67438660 0.50000000 0.32561340 1.0 0.66954253 0.50000000 0.33045747 1.0 0.66469845 0.50000000 0.33530155 1.0 0.65985438 0.50000000 0.34014562 1.0 0.65501031 0.50000000 0.34498969 1.0 0.65016624 0.50000000 0.34983376 1.0 0.64532217 0.50000000 0.35467783 1.0 0.64047809 0.50000000 0.35952191 1.0 0.63563402 0.50000000 0.36436598 1.0 0.63078995 0.50000000 0.36921005 1.0 0.62594588 0.50000000 0.37405412 1.0 0.62110180 0.50000000 0.37889820 1.0 0.61625773 0.50000000 0.38374227 1.0 0.61141366 0.50000000 0.38858634 1.0 0.60656959 0.50000000 0.39343041 1.0 0.60172552 0.50000000 0.39827448 1.0 0.59688144 0.50000000 0.40311856 1.0 0.59203737 0.50000000 0.40796263 1.0 0.58719330 0.50000000 0.41280670 1.0 0.58234923 0.50000000 0.41765077 1.0 0.57750516 0.50000000 0.42249484 1.0 0.57266108 0.50000000 0.42733892 1.0 0.56781701 0.50000000 0.43218299 1.0 0.56297294 0.50000000 0.43702706 1.0 0.55812887 0.50000000 0.44187113 1.0 0.55328479 0.50000000 0.44671521 1.0 0.54844072 0.50000000 0.45155928 1.0 0.54359665 0.50000000 0.45640335 1.0 0.53875258 0.50000000 0.46124742 1.0 0.53390851 0.50000000 0.46609149 1.0 0.52906443 0.50000000 0.47093557 1.0 0.52422036 0.50000000 0.47577964 1.0 0.51937629 0.50000000 0.48062371 1.0 0.51453222 0.50000000 0.48546778 1.0 0.50968814 0.50000000 0.49031186 1.0 0.50484407 0.50000000 0.49515593 1.0 0.50000000 0.50000000 0.50000000 1.0 0.50000000 0.50000000 0.50000000 1.0 0.48076923 0.48076923 0.48076923 1.0 0.46153846 0.46153846 0.46153846 1.0 0.44230769 0.44230769 0.44230769 1.0 0.42307692 0.42307692 0.42307692 1.0 0.40384615 0.40384615 0.40384615 1.0 0.38461538 0.38461538 0.38461538 1.0 0.36538462 0.36538462 0.36538462 1.0 0.34615385 0.34615385 0.34615385 1.0 0.32692308 0.32692308 0.32692308 1.0 0.30769231 0.30769231 0.30769231 1.0 0.28846154 0.28846154 0.28846154 1.0 0.26923077 0.26923077 0.26923077 1.0 0.25000000 0.25000000 0.25000000 1.0 0.23076923 0.23076923 0.23076923 1.0 0.21153846 0.21153846 0.21153846 1.0 0.19230769 0.19230769 0.19230769 1.0 0.17307692 0.17307692 0.17307692 1.0 0.15384615 0.15384615 0.15384615 1.0 0.13461538 0.13461538 0.13461538 1.0 0.11538462 0.11538462 0.11538462 1.0 0.09615385 0.09615385 0.09615385 1.0 0.07692308 0.07692308 0.07692308 1.0 0.05769231 0.05769231 0.05769231 1.0 0.03846154 0.03846154 0.03846154 1.0 0.01923077 0.01923077 0.01923077 1.0 0.00000000 0.00000000 0.00000000 1.0 0.00000000 0.00000000 0.00000000 1.0 0.00485922 0.00000000 -0.00485922 1.0 0.00971845 0.00000000 -0.00971845 1.0 0.01457767 0.00000000 -0.01457767 1.0 0.01943689 0.00000000 -0.01943689 1.0 0.02429612 0.00000000 -0.02429612 1.0 0.02915534 0.00000000 -0.02915534 1.0 0.03401456 0.00000000 -0.03401456 1.0 0.03887378 0.00000000 -0.03887378 1.0 0.04373301 0.00000000 -0.04373301 1.0 0.04859223 0.00000000 -0.04859223 1.0 0.05345145 0.00000000 -0.05345145 1.0 0.05831068 0.00000000 -0.05831068 1.0 0.06316990 0.00000000 -0.06316990 1.0 0.06802912 0.00000000 -0.06802912 1.0 0.07288835 0.00000000 -0.07288835 1.0 0.07774757 0.00000000 -0.07774757 1.0 0.08260679 0.00000000 -0.08260679 1.0 0.08746602 0.00000000 -0.08746602 1.0 0.09232524 0.00000000 -0.09232524 1.0 0.09718446 0.00000000 -0.09718446 1.0 0.10204369 0.00000000 -0.10204369 1.0 0.10690291 0.00000000 -0.10690291 1.0 0.11176213 0.00000000 -0.11176213 1.0 0.11662135 0.00000000 -0.11662135 1.0 0.12148058 0.00000000 -0.12148058 1.0 0.12633980 0.00000000 -0.12633980 1.0 0.13119902 0.00000000 -0.13119902 1.0 0.13605825 0.00000000 -0.13605825 1.0 0.14091747 0.00000000 -0.14091747 1.0 0.14577669 0.00000000 -0.14577669 1.0 0.15063592 0.00000000 -0.15063592 1.0 0.15549514 0.00000000 -0.15549514 1.0 0.16035436 0.00000000 -0.16035436 1.0 0.16521359 0.00000000 -0.16521359 1.0 0.17007281 0.00000000 -0.17007281 1.0 0.17493203 0.00000000 -0.17493203 1.0 0.17979125 0.00000000 -0.17979125 1.0 0.18465048 0.00000000 -0.18465048 1.0 0.18950970 0.00000000 -0.18950970 1.0 0.19436892 0.00000000 -0.19436892 1.0 0.19922815 0.00000000 -0.19922815 1.0 0.20408737 0.00000000 -0.20408737 1.0 0.20894659 0.00000000 -0.20894659 1.0 0.21380582 0.00000000 -0.21380582 1.0 0.21866504 0.00000000 -0.21866504 1.0 0.22352426 0.00000000 -0.22352426 1.0 0.22838349 0.00000000 -0.22838349 1.0 0.23324271 0.00000000 -0.23324271 1.0 0.23810193 0.00000000 -0.23810193 1.0 0.24296116 0.00000000 -0.24296116 1.0 0.24782038 0.00000000 -0.24782038 1.0 0.25267960 0.00000000 -0.25267960 1.0 0.25753882 0.00000000 -0.25753882 1.0 0.26239805 0.00000000 -0.26239805 1.0 0.26725727 0.00000000 -0.26725727 1.0 0.27211649 0.00000000 -0.27211649 1.0 0.27697572 0.00000000 -0.27697572 1.0 0.28183494 0.00000000 -0.28183494 1.0 0.28669416 0.00000000 -0.28669416 1.0 0.29155339 0.00000000 -0.29155339 1.0 0.29641261 0.00000000 -0.29641261 1.0 0.30127183 0.00000000 -0.30127183 1.0 0.30613106 0.00000000 -0.30613106 1.0 0.31099028 0.00000000 -0.31099028 1.0 0.31584950 0.00000000 -0.31584950 1.0 0.32070873 0.00000000 -0.32070873 1.0 0.32556795 0.00000000 -0.32556795 1.0 0.33042717 0.00000000 -0.33042717 1.0 0.33528639 0.00000000 -0.33528639 1.0 0.34014562 0.00000000 -0.34014562 1.0 0.65985438 0.34014562 -0.00000000 1.0 0.65501031 0.34498969 -0.00000000 1.0 0.65016624 0.34983376 -0.00000000 1.0 0.64532217 0.35467783 -0.00000000 1.0 0.64047809 0.35952191 -0.00000000 1.0 0.63563402 0.36436598 -0.00000000 1.0 0.63078995 0.36921005 -0.00000000 1.0 0.62594588 0.37405412 -0.00000000 1.0 0.62110180 0.37889820 -0.00000000 1.0 0.61625773 0.38374227 -0.00000000 1.0 0.61141366 0.38858634 -0.00000000 1.0 0.60656959 0.39343041 -0.00000000 1.0 0.60172552 0.39827448 -0.00000000 1.0 0.59688144 0.40311856 -0.00000000 1.0 0.59203737 0.40796263 -0.00000000 1.0 0.58719330 0.41280670 -0.00000000 1.0 0.58234923 0.41765077 -0.00000000 1.0 0.57750516 0.42249484 0.00000000 1.0 0.57266108 0.42733892 0.00000000 1.0 0.56781701 0.43218299 0.00000000 1.0 0.56297294 0.43702706 0.00000000 1.0 0.55812887 0.44187113 0.00000000 1.0 0.55328479 0.44671521 0.00000000 1.0 0.54844072 0.45155928 0.00000000 1.0 0.54359665 0.45640335 0.00000000 1.0 0.53875258 0.46124742 0.00000000 1.0 0.53390851 0.46609149 0.00000000 1.0 0.52906443 0.47093557 0.00000000 1.0 0.52422036 0.47577964 0.00000000 1.0 0.51937629 0.48062371 0.00000000 1.0 0.51453222 0.48546778 0.00000000 1.0 0.50968814 0.49031186 0.00000000 1.0 0.50484407 0.49515593 0.00000000 1.0 0.50000000 0.50000000 0.00000000 1.0 0.50000000 0.50000000 0.00000000 1.0 0.51776160 0.51776160 0.02003236 1.0 0.53552320 0.53552320 0.04006472 1.0 0.55328479 0.55328479 0.06009708 1.0 0.57104639 0.57104639 0.08012944 1.0 0.58880799 0.58880799 0.10016180 1.0 0.60656959 0.60656959 0.12019416 1.0 0.62433119 0.62433119 0.14022652 1.0 0.64209278 0.64209278 0.16025888 1.0 0.65985438 0.65985438 0.18029124 1.0 0.65985438 0.65985438 0.18029124 1.0 0.65704992 0.65704992 0.18590016 1.0 0.65424546 0.65424546 0.19150909 1.0 0.65144099 0.65144099 0.19711801 1.0 0.64863653 0.64863653 0.20272694 1.0 0.64583207 0.64583207 0.20833586 1.0 0.64302761 0.64302761 0.21394479 1.0 0.64022314 0.64022314 0.21955371 1.0 0.63741868 0.63741868 0.22516264 1.0 0.63461422 0.63461422 0.23077157 1.0 0.63180975 0.63180975 0.23638049 1.0 0.62900529 0.62900529 0.24198942 1.0 0.62620083 0.62620083 0.24759834 1.0 0.62339637 0.62339637 0.25320727 1.0 0.62059190 0.62059190 0.25881619 1.0 0.61778744 0.61778744 0.26442512 1.0 0.61498298 0.61498298 0.27003405 1.0 0.61217851 0.61217851 0.27564297 1.0 0.60937405 0.60937405 0.28125190 1.0 0.60656959 0.60656959 0.28686082 1.0 0.60376513 0.60376513 0.29246975 1.0 0.60096066 0.60096066 0.29807867 1.0 0.59815620 0.59815620 0.30368760 1.0 0.59535174 0.59535174 0.30929653 1.0 0.59254727 0.59254727 0.31490545 1.0 0.58974281 0.58974281 0.32051438 1.0 0.58693835 0.58693835 0.32612330 1.0 0.58413389 0.58413389 0.33173223 1.0 0.58132942 0.58132942 0.33734115 1.0 0.57852496 0.57852496 0.34295008 1.0 0.57572050 0.57572050 0.34855901 1.0 0.57291603 0.57291603 0.35416793 1.0 0.57011157 0.57011157 0.35977686 1.0 0.56730711 0.56730711 0.36538578 1.0 0.56450265 0.56450265 0.37099471 1.0 0.56169818 0.56169818 0.37660363 1.0 0.55889372 0.55889372 0.38221256 1.0 0.55608926 0.55608926 0.38782149 1.0 0.55328479 0.55328479 0.39343041 1.0 0.55048033 0.55048033 0.39903934 1.0 0.54767587 0.54767587 0.40464826 1.0 0.54487141 0.54487141 0.41025719 1.0 0.54206694 0.54206694 0.41586611 1.0 0.53926248 0.53926248 0.42147504 1.0 0.53645802 0.53645802 0.42708397 1.0 0.53365355 0.53365355 0.43269289 1.0 0.53084909 0.53084909 0.43830182 1.0 0.52804463 0.52804463 0.44391074 1.0 0.52524017 0.52524017 0.44951967 1.0 0.52243570 0.52243570 0.45512859 1.0 0.51963124 0.51963124 0.46073752 1.0 0.51682678 0.51682678 0.46634645 1.0 0.51402231 0.51402231 0.47195537 1.0 0.51121785 0.51121785 0.47756430 1.0 0.50841339 0.50841339 0.48317322 1.0 0.50560893 0.50560893 0.48878215 1.0 0.50280446 0.50280446 0.49439107 1.0 0.50000000 0.50000000 0.50000000 1.0 0.50000000 0.00000000 0.00000000 1.0 0.51776160 0.01889698 0.01889698 1.0 0.53552320 0.03779396 0.03779396 1.0 0.55328479 0.05669094 0.05669094 1.0 0.57104639 0.07558792 0.07558792 1.0 0.58880799 0.09448489 0.09448489 1.0 0.60656959 0.11338187 0.11338187 1.0 0.62433119 0.13227885 0.13227885 1.0 0.64209278 0.15117583 0.15117583 1.0 0.65985438 0.17007281 0.17007281 1.0 0.67761598 0.18896979 0.18896979 1.0 0.69537758 0.20786677 0.20786677 1.0 0.71313918 0.22676375 0.22676375 1.0 0.73090077 0.24566072 0.24566072 1.0 0.74866237 0.26455770 0.26455770 1.0 0.76642397 0.28345468 0.28345468 1.0 0.78418557 0.30235166 0.30235166 1.0 0.80194717 0.32124864 0.32124864 1.0 0.81970876 0.34014562 0.34014562 1.0