Begin Projections Mo:l=2 S:l=1 Te:l=1 End Projections search_shells = 100 num_wann = 1595 num_bands = 1886 dis_froz_max=3 dis_win_max= 6.5 dis_num_iter=10 num_iter=100 hr_plot=T write_xyz=T guiding_centres = T begin unit_cell_cart 24.6903843 -14.2550000 0.0000000 24.6903843 14.2550000 0.0000000 0.0000000 0.0000000 30.0000000 end unit_cell_cart begin atoms_cart Mo 2.2075115 0.0000056 8.3130961 Mo 32.3752158 -1.5853646 8.1553674 Mo 21.3945445 1.5813897 7.6825080 Mo 35.1200734 0.0000002 8.1506538 Mo 18.6562057 -0.0000041 7.5327581 Mo 15.9160021 -1.5822568 7.5196624 Mo 37.8611082 1.5896522 8.1068731 Mo 13.1769700 -3.1634316 7.6494515 Mo 40.6007621 3.1793313 8.0621657 Mo 10.4398125 -4.7456502 7.8593195 Mo 29.6439354 9.4992019 8.1627017 Mo 24.1340447 3.1606943 7.8964867 Mo 21.3923407 -11.0745098 8.2165959 Mo 24.1400152 -9.4887648 8.2138309 Mo 21.3936195 4.7422911 7.8241557 Mo 26.8885026 -7.9081431 8.1748595 Mo 18.6557442 3.1636789 7.6138781 Mo 29.6358742 -6.3311976 8.1305825 Mo 15.9159999 1.5822523 7.5196611 Mo 13.1763677 -0.0000008 7.5879871 Mo 32.3809270 -4.7547492 8.1065063 Mo 10.4401127 -1.5818253 7.7850204 Mo 35.1225366 -3.1749305 8.1009293 Mo 26.8885056 7.9081449 8.1748737 Mo 7.7017620 -3.1662246 8.0121877 Mo 26.8813606 4.7427365 8.0711479 Mo 29.6358791 6.3311973 8.1305850 Mo 21.3936228 -4.7422969 7.8241388 Mo 26.8770770 -1.5806062 8.0099806 Mo 18.6538680 -6.3241372 7.8174680 Mo 29.6248307 -0.0000031 8.1159632 Mo 15.9138956 -7.9063758 7.8782074 Mo 35.1273344 6.3443715 7.9828220 Mo 32.3752177 1.5853624 8.1553605 Mo 32.3809320 4.7547482 8.1064962 Mo 35.1225401 3.1749304 8.1009160 Mo 29.6281089 3.1650501 8.1171064 Mo 29.6281058 -3.1650545 8.1171073 Mo 26.8770774 1.5805968 8.0099855 Mo 24.1333549 -0.0000060 7.8376794 Mo 18.6508788 -9.4883900 8.0404717 Mo 21.3945458 -1.5813999 7.6825022 Mo 18.6557473 -3.1636851 7.6138754 Mo 21.3927674 -7.9038379 8.0366861 Mo 15.9160760 -4.7448494 7.6625063 Mo 24.1362926 -6.3220896 8.0446237 Mo 13.1771027 -6.3255927 7.8067240 Mo 32.3876598 7.9222851 8.0481779 Mo 26.8813586 -4.7427413 8.0711338 Mo 37.8645075 4.7637222 7.9879452 Mo 26.8951659 11.0788308 8.2729130 Mo 24.1362917 6.3220864 8.0446468 Mo 24.1340459 -3.1607036 7.8964711 Mo 40.6007598 -3.1793258 8.0621637 Mo 24.1426313 -12.6645914 8.3224772 Mo 13.1770976 6.3255928 7.8067269 Mo 10.4401109 1.5818266 7.7850216 Mo 26.8951645 -11.0788214 8.2729058 Mo 37.8645034 -4.7637210 7.9879515 Mo 15.9138912 7.9063775 7.8782061 Mo 7.7033617 0.0000023 8.0014728 Mo 29.6439319 -9.4991971 8.1626992 Mo 4.9587481 -1.5856818 8.1922630 Mo 18.6508758 9.4883959 8.0404717 Mo 37.8611067 -1.5896496 8.1068771 Mo 24.1426314 12.6646027 8.3224810 Mo 35.1273292 -6.3443711 7.9828328 Mo 32.3876547 -7.9222836 8.0481828 Mo 10.4398080 4.7456512 7.8593239 Mo 15.9160712 4.7448474 7.6625052 Mo 13.1769662 3.1634305 7.6494517 Mo 21.3923396 11.0745190 8.2166006 Mo 43.3388485 -1.5909509 8.1802767 Mo 40.5989739 0.0000033 8.1338847 Mo 4.9587468 1.5856896 8.1922626 Mo 24.1400152 9.4887700 8.2138467 Mo 18.6538637 6.3241358 7.8174732 Mo 21.3927638 7.9038392 8.0367006 Mo 7.7017590 3.1662288 8.0121900 Mo 43.3388492 1.5909603 8.1802792 Mo 46.0824074 0.0000058 8.2850910 Mo 4.5107937 -0.0000053 14.8595036 Mo 41.5641837 3.5532448 14.7869613 Mo 13.7747523 -5.3588302 14.6768342 Mo 32.2867046 8.9092367 14.7783665 Mo 23.0445344 -10.7007947 14.8704664 Mo 29.2079474 7.1336226 14.8163340 Mo 26.1252634 -8.9198588 14.8521746 Mo 26.1308531 5.3559938 14.7893444 Mo 23.0518192 3.5751316 14.7159870 Mo 29.2079716 -7.1336213 14.8163332 Mo 19.9646775 1.7894627 14.6439841 Mo 32.2934670 -5.3443811 14.7882852 Mo 16.8686761 0.0000062 14.6121826 Mo 13.7707745 -1.7875165 14.6350197 Mo 35.3815952 -3.5582140 14.7790978 Mo 10.6793759 -3.5692573 14.7019597 Mo 38.4729494 -1.7772712 14.7900079 Mo 29.2027912 10.6963668 14.8456396 Mo 16.8696669 -3.5770095 14.6399091 Mo 26.1252387 8.9198475 14.8521778 Mo 38.4729445 1.7772494 14.7900059 Mo 23.0540439 0.0000248 14.6874158 Mo 32.2980488 1.7810812 14.7992720 Mo 38.4697487 5.3336189 14.7410630 Mo 29.2171774 0.0000064 14.7859056 Mo 26.1360522 -1.7858388 14.7497141 Mo 19.9623839 -8.9241222 14.7893631 Mo 23.0518176 -3.5750934 14.7159894 Mo 23.0472404 -7.1426006 14.7900157 Mo 19.9634918 -5.3625934 14.7014743 Mo 16.8716628 -7.1445175 14.7105863 Mo 26.1308758 -5.3559785 14.7893454 Mo 35.3761073 7.1195009 14.7379793 Mo 29.2143867 -3.5670577 14.7935161 Mo 32.2934486 5.3443770 14.7882854 Mo 29.2143579 3.5670666 14.7935144 Mo 32.2980562 -1.7810776 14.7992724 Mo 26.1360408 1.7858716 14.7497113 Mo 35.3836928 -0.0000147 14.7975257 Mo 19.9646673 -1.7894365 14.6439847 Mo 41.5652669 0.0000000 14.8200539 Mo 35.3815872 3.5581947 14.7790955 Mo 23.0472512 7.1426056 14.7900202 Mo 41.5641954 -3.5532608 14.7869609 Mo 13.7747600 5.3588351 14.6768325 Mo 10.6764211 0.0000053 14.6885238 Mo 29.2028133 -10.6963892 14.8456409 Mo 23.0445316 10.7007027 14.8704695 Mo 16.8716854 7.1445159 14.7105824 Mo 32.2867235 -8.9092433 14.7783666 Mo 13.7707749 1.7875241 14.6350205 Mo 10.6793841 3.5692638 14.7019602 Mo 16.8696821 3.5770129 14.6399093 Mo 26.1228661 -12.4774173 14.9007062 Mo 44.6527482 -1.7765411 14.8556949 Mo 38.4697567 -5.3336225 14.7410633 Mo 35.3761131 -7.1195031 14.7379795 Mo 19.9635147 5.3626023 14.7014729 Mo 7.5915774 1.7815803 14.7753963 Mo 44.6527235 1.7765242 14.8556926 Mo 19.9623869 8.9241195 14.7893637 Mo 47.7342142 -0.0000187 14.9051879 Mo 26.1228583 12.4773950 14.9007051 Mo 7.5915681 -1.7815870 14.7753951 S 23.2727784 -7.9874997 6.5406431 S 20.5278101 -9.5747694 6.5404673 S 28.6506882 -1.5799784 9.6476440 S 23.1710140 -7.8216963 9.6663815 S 37.0004502 -6.4332233 9.4857425 S 26.0380548 -3.1938071 6.4276796 S 34.1454354 -7.8728901 6.3977948 S 36.9095731 -6.2651249 6.3593478 S 45.2098329 -1.5575415 6.6729684 S 42.3982935 -3.2474236 9.6610555 S 34.2221838 1.6106213 9.7059754 S 45.1269291 -1.6242352 9.8002945 S 39.6855363 4.6792579 6.4107762 S 31.4367179 0.0000013 9.7129440 S 39.6977810 -4.8536094 9.5381373 S 39.6977809 4.8536133 9.5381387 S 31.4775302 -0.0000042 6.5832728 S 39.6855286 -4.6792545 6.4107788 S 36.9251697 3.1228194 6.5026264 S 25.9251852 -6.2721430 9.6634751 S 36.9776843 3.2342615 9.6312384 S 42.4582715 -3.1132099 6.5339883 S 34.1916380 1.5655988 6.5763847 S 20.4295768 -9.4008825 9.6660249 S 28.7633619 -1.5850224 6.5188243 S 36.9251623 -3.1228196 6.5026376 S 34.2873640 -7.9836810 9.5248787 S 25.8838689 -3.1297511 9.5553340 S 25.9694786 -9.4426283 9.7929639 S 25.9785656 -9.5417663 6.6655137 S 45.1269311 1.6242481 9.8002949 S 28.7399308 -7.8953002 9.7249558 S 28.7042199 -7.9333980 6.5969124 S 42.4567379 0.0000055 6.6062885 S 42.3972229 0.0000037 9.7342660 S 31.4997512 -6.3624600 9.6611474 S 31.4363806 -6.3150141 6.5327576 S 34.2473171 -4.8143018 9.6294988 S 39.6891772 -1.5564823 6.5387791 S 34.1756191 -4.7077277 6.5009133 S 39.6892873 -1.6249868 9.6671960 S 36.9776845 -3.2342592 9.6312437 S 23.2538790 -11.1290641 6.6987001 S 45.2098303 1.5575496 6.6729660 S 23.1956304 -11.0221817 9.8253585 S 42.4582722 3.1132165 6.5339887 S 28.6864677 -4.7373422 9.6727766 S 28.7397492 -4.7585515 6.5442327 S 31.4000555 -9.4911752 6.5132274 S 31.4663761 -3.1503142 6.5659530 S 31.5501282 -9.5198422 9.6403441 S 34.2221822 -1.6106167 9.7059816 S 34.1916363 -1.5656053 6.5763937 S 26.0084305 -6.3779300 6.5361904 S 28.6748591 -11.0993131 6.6541004 S 36.9296423 -0.0000012 6.5606560 S 28.7841593 -11.0670493 9.7813960 S 39.6892867 1.6249914 9.6671971 S 39.6891810 1.5564879 6.5387776 S 25.9615055 -12.6864294 6.7519677 S 25.9957044 -12.6458233 9.8782294 S 42.3982953 3.2474329 9.6610587 S 36.9700073 0.0000020 9.6898422 S 31.4545748 -3.1906071 9.6952060 S 25.8665729 -0.0000072 9.5136140 S 23.1399492 -4.6692158 9.4823472 S 14.9724816 3.2289257 6.0316678 S 17.7125971 4.6473536 9.2501520 S 17.7720030 4.8394059 6.1239980 S 20.4170057 6.2207488 9.4526182 S 20.5419308 6.4247752 6.3281439 S 23.1710102 7.8216997 9.6663908 S 23.2727801 7.9874969 6.5406713 S 25.9694826 9.4426362 9.7929702 S 25.9785638 9.5417675 6.6655337 S 15.0349742 3.0959168 9.1594080 S 28.7841633 11.0670571 9.7813979 S 9.6337290 -3.1294586 9.4443660 S 9.4229145 -3.1961874 6.3192775 S 12.3560503 -1.5525754 9.2255922 S 12.1742482 -1.6092202 6.0990517 S 15.0399816 -0.0000017 9.0905248 S 14.9660444 -0.0000029 5.9602517 S 17.7133895 1.5437866 9.1036902 S 17.7715049 1.6198930 5.9740233 S 20.4045685 3.0949500 9.2591589 S 28.6748575 11.0993183 6.6541061 S 12.1742454 1.6092193 6.0990522 S 12.3560487 1.5525743 9.2255921 S 9.4091260 0.0000017 6.2908110 S 4.1106938 0.0000046 9.8062581 S 3.9736038 0.0000039 6.6796500 S 6.8929827 1.5791718 9.6356209 S 6.6851059 1.5872936 6.5101813 S 9.6337251 3.1294589 9.4443682 S 9.4229110 3.1961910 6.3192814 S 12.3375729 4.6701021 9.3261816 S 12.1943265 4.8150242 6.1997948 S 15.0217919 6.2222733 9.3373360 S 14.9856023 6.4245176 6.2110483 S 17.7102673 7.7984942 9.4723807 S 17.7705228 8.0107572 6.3470560 S 20.4295707 9.4008922 9.6660265 S 20.5278143 9.5747707 6.5404790 S 23.1956283 11.0221944 9.8253620 S 23.2538818 11.1290663 6.6987139 S 25.9957040 12.6458375 9.8782322 S 25.9615056 12.6864362 6.7519735 S 6.8929849 -1.5791674 9.6356205 S 6.6851065 -1.5872874 6.5101804 S 9.6485937 0.0000006 9.4151441 S 20.5555878 3.2300082 6.1331367 S 23.2983606 -4.8144176 6.3567832 S 23.1399471 4.6692071 9.4823603 S 25.9251907 6.2721413 9.6634858 S 17.7126034 -4.6473577 9.2501524 S 17.7720031 -4.8394091 6.1239939 S 20.4045746 -3.0949624 9.2591532 S 20.5555851 -3.2300114 6.1331230 S 23.1186959 -1.5519217 9.3609608 S 23.3168769 -1.6095604 6.2349373 S 47.8944222 0.0000068 9.8855763 S 26.0506919 -0.0000021 6.3865966 S 28.6506917 1.5799728 9.6476437 S 14.9856093 -6.4245172 6.2110477 S 28.7633598 1.5850173 6.5188269 S 31.4663746 3.1503107 6.5659459 S 34.2473231 4.8143011 9.6294886 S 34.1756229 4.7077281 6.5008978 S 37.0004528 6.4332227 9.4857373 S 36.9095822 6.2651272 6.3593378 S 17.7102718 -7.7984896 9.4723832 S 17.7705229 -8.0107569 6.3470527 S 20.4170131 -6.2207492 9.4526098 S 20.5419270 -6.4247787 6.3281245 S 31.4545814 3.1906064 9.6951993 S 15.0217946 -6.2222730 9.3373374 S 34.1454396 7.8728939 6.3977852 S 34.2873708 7.9836792 9.5248730 S 26.0084265 6.3779285 6.5362173 S 28.7399397 7.8953015 9.7249591 S 28.7042166 7.9333995 6.5969231 S 31.5501353 9.5198442 9.6403423 S 31.4000558 9.4911795 6.5132257 S 12.3375763 -4.6701037 9.3261798 S 12.1943334 -4.8150228 6.1997910 S 15.0349775 -3.0959197 9.1594100 S 14.9724858 -3.2289289 6.0316688 S 17.7133927 -1.5437955 9.1036911 S 17.7715047 -1.6198992 5.9740221 S 20.3997122 -0.0000080 9.1821003 S 20.5608358 -0.0000022 6.0548918 S 23.1186946 1.5519043 9.3609660 S 23.3168768 1.6095577 6.2349483 S 25.8838724 3.1297403 9.5553414 S 26.0380513 3.1938050 6.4276974 S 28.6864769 4.7373381 9.6727785 S 28.7397446 4.7585508 6.5442419 S 31.4997610 6.3624579 9.6611436 S 31.4363797 6.3150164 6.5327527 S 23.2983603 4.8144150 6.3568116 S 47.9377372 0.0000038 6.7594695 Te 24.0977507 -5.3963885 12.9673164 Te 27.1744660 -3.5898754 12.9820146 Te 27.1455928 -3.5522648 16.5755060 Te 36.4195009 -5.3578558 16.5495754 Te 30.2370126 -1.7797640 16.5927426 Te 21.0176773 -7.1885367 12.9608645 Te 24.0552328 -5.3241416 16.5620048 Te 20.9664861 -7.1018353 16.5569871 Te 39.4924776 -3.5784851 16.5702955 Te 39.5152387 -3.5298269 12.9767506 Te 17.9274986 -8.9626004 12.9640182 Te 17.8818898 -8.8869073 16.5590818 Te 42.5678859 -1.7922764 16.6212444 Te 36.3985727 5.3157619 12.9560635 Te 36.4194923 5.3578429 16.5495702 Te 42.6252008 -1.7601743 13.0254484 Te 33.3157589 3.5552555 12.9946432 Te 36.3985797 -5.3157728 12.9560611 Te 33.2919639 -7.1194559 12.9720901 Te 30.2018357 -8.9285537 13.0180613 Te 33.3432134 -7.1309798 16.5656610 Te 36.4133615 -1.7690555 12.9946354 Te 36.4128375 -1.7875924 16.5883630 Te 39.5215629 -0.0000100 13.0057434 Te 33.3157674 -3.5552552 12.9946434 Te 33.3321949 -3.5674153 16.5884500 Te 42.5678615 1.7922711 16.6212603 Te 42.6251736 1.7601695 13.0254305 Te 30.2288609 -5.3599165 13.0052541 Te 30.2465647 -5.3393646 16.5987885 Te 33.3321880 3.5674142 16.5884482 Te 24.0635163 -12.4619855 16.6969938 Te 27.1558024 -7.1088210 16.6194932 Te 24.0777277 -12.4947612 13.0980633 Te 24.0846364 -8.9614578 13.0411200 Te 24.0599816 -8.8844820 16.6390754 Te 21.0178067 -10.7340056 13.0419458 Te 27.1662403 -10.6763875 16.6692742 Te 20.9647240 -10.6703140 16.6401280 Te 27.1325896 -10.7222380 13.0715237 Te 39.5152249 3.5298147 12.9767502 Te 39.4924628 3.5784708 16.5702939 Te 30.2601978 -8.9012709 16.6132619 Te 36.4133546 1.7690263 12.9946342 Te 36.4128314 1.7875632 16.5883598 Te 39.4895115 -0.0000089 16.5993573 Te 33.3255147 -0.0000003 13.0054407 Te 33.3275141 -0.0000006 16.5993049 Te 30.2491134 -1.7862662 12.9989301 Te 27.1516449 -7.1685997 13.0241639 Te 33.2919537 7.1194511 12.9720914 Te 30.2370005 1.7797786 16.5927394 Te 11.7427674 1.7782753 16.4665921 Te 11.6717413 1.7924424 12.8765143 Te 14.8145846 3.5530679 16.4403998 Te 14.7953107 3.5966124 12.8530266 Te 17.8874603 5.3267266 16.4758362 Te 17.9180629 5.3989879 12.8850911 Te 20.9664949 7.1018452 16.5569839 Te 21.0176901 7.1885491 12.9608711 Te 24.0599871 8.8844381 16.6391093 Te 24.0846422 8.9614170 13.0410976 Te 27.1662215 10.6763741 16.6692783 Te 27.1325700 10.7222231 13.0715206 Te 8.6632730 -3.5624904 16.5480359 Te 8.5777318 -3.5664581 12.9535373 Te 11.7427662 -1.7782641 16.4665895 Te 8.5678698 -0.0000035 12.9467950 Te 8.6674343 -0.0000048 16.5422744 Te 5.4938332 -1.7727175 13.0299530 Te 5.5795488 -1.7857643 16.6276339 Te 2.4803871 -0.0000099 16.6914588 Te 2.4354486 -0.0000089 13.0926539 Te 5.5795643 1.7857432 16.6276396 Te 5.4938478 1.7726989 13.0299503 Te 8.6632853 3.5624844 16.5480396 Te 8.5777428 3.5664519 12.9535355 Te 11.7376904 5.3355463 16.4990528 Te 11.6717392 -1.7924307 12.8765154 Te 11.6870774 5.3731722 12.9075144 Te 14.8099771 7.1752609 12.9113273 Te 17.8818913 8.8868985 16.5590923 Te 17.9275032 8.9625959 12.9640042 Te 20.9647303 10.6702846 16.6401376 Te 21.0178150 10.7339799 13.0419421 Te 24.0635034 12.4619119 16.6969867 Te 24.0777136 12.4946885 13.0980699 Te 14.8090568 7.1096069 16.5031688 Te 30.2491022 1.7862802 12.9989317 Te 14.8165031 0.0000046 16.4157926 Te 17.8904650 1.7750430 16.4206244 Te 27.1744427 3.5899006 12.9820056 Te 30.2465384 5.3393645 16.5987865 Te 30.2288371 5.3599196 13.0052554 Te 33.3432021 7.1309751 16.5656590 Te 45.6542664 -0.0000017 16.6758331 Te 14.8090382 -7.1096103 16.5031728 Te 14.8099609 -7.1752625 12.9113284 Te 17.8874350 -5.3267253 16.4758394 Te 17.9180369 -5.3989892 12.8850925 Te 20.9681080 -3.5483023 16.4791739 Te 21.0196114 -3.6065780 12.8883535 Te 24.0521314 -1.7738782 16.5118834 Te 24.1094618 -1.8021697 12.9198131 Te 27.1415543 0.0000173 16.5592517 Te 27.1848609 0.0000154 12.9655696 Te 27.1455678 3.5522871 16.5755101 Te 24.1094578 1.8022165 12.9198030 Te 24.0521283 1.7739253 16.5118882 Te 21.0208894 0.0000132 12.8608309 Te 17.9120834 1.8037770 12.8350627 Te 20.9681207 3.5483221 16.4791780 Te 21.0196227 3.6065979 12.8883447 Te 24.0552292 5.3241524 16.5620201 Te 24.0977459 5.3964074 12.9673017 Te 27.1557828 7.1088230 16.6194957 Te 27.1516266 7.1686074 13.0241640 Te 14.7891211 0.0000053 12.8305520 Te 30.2601773 8.9012599 16.6132671 Te 11.7376811 -5.3355402 16.4990514 Te 11.6870700 -5.3731661 12.9075165 Te 14.8145727 -3.5530612 16.4404040 Te 14.7952983 -3.5966076 12.8530227 Te 17.8904530 -1.7750362 16.4206227 Te 17.9120718 -1.8037703 12.8350647 Te 20.9684822 0.0000134 16.4486387 Te 30.2018177 8.9285426 13.0180552 Te 45.7085567 -0.0000032 13.0775886 end atoms_cart mp_grid = 3 3 1 begin kpoints 0.000000000000 0.000000000000 0.000000000000 0.333333333333 0.000000000000 0.000000000000 0.000000000000 0.333333333333 0.000000000000 0.333333333333 0.333333333333 0.000000000000 -0.333333333333 0.333333333333 0.000000000000 -0.333333333333 0.000000000000 0.000000000000 0.000000000000 -0.333333333333 0.000000000000 -0.333333333333 -0.333333333333 0.000000000000 0.333333333333 -0.333333333333 0.000000000000 end kpoints