mirror of https://github.com/abinit/abinit.git
1336 lines
118 KiB
Plaintext
1336 lines
118 KiB
Plaintext
# k-dep inverse of the relaxation time as a function of temperature.
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#
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# nkptirr= 64 nband= 8
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# number of temperatures= 10
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# tau [SI]
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# Temperature = 100.00000000
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# For isppol = 1
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# kpt# 1 kpt= 0.000000 0.000000 0.000000
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0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
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# kpt# 2 kpt= 0.250000 0.000000 0.000000
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0.00000000D+00 0.95452519D+13 0.98353678D+13 0.20179597D+14 0.29520796D+14 0.49319410D+14 0.76678723D+14 0.00000000D+00
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# kpt# 3 kpt= 0.500000 0.000000 0.000000
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0.00000000D+00 0.00000000D+00 0.39661823D+13 0.22724920D+13 0.14708953D+13 0.11269857D+14 0.53334918D+14 0.00000000D+00
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# kpt# 4 kpt= -0.250000 0.000000 0.000000
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0.00000000D+00 0.96819501D+13 0.10791390D+14 0.20378891D+14 0.25327155D+14 0.41304540D+14 0.80115700D+14 0.00000000D+00
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# kpt# 5 kpt= 0.000000 0.250000 0.000000
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0.00000000D+00 0.10553037D+14 0.85355650D+13 0.22192604D+14 0.19093164D+14 0.44502270D+14 0.64716726D+14 0.00000000D+00
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# kpt# 6 kpt= 0.250000 0.250000 0.000000
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0.00000000D+00 0.13497472D+14 0.14470338D+14 0.42370625D+13 0.67192490D+14 0.26503241D+14 0.34523644D+14 0.71272053D+14
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# kpt# 7 kpt= 0.500000 0.250000 0.000000
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0.00000000D+00 0.16731497D+14 0.15351974D+14 0.50269414D+13 0.96932106D+14 0.25952659D+14 0.31954009D+14 0.11189589D+15
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# kpt# 8 kpt= -0.250000 0.250000 0.000000
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0.00000000D+00 0.10137120D+14 0.77692935D+13 0.17422728D+14 0.19406893D+14 0.37700553D+14 0.85806077D+14 0.00000000D+00
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# kpt# 9 kpt= 0.000000 0.500000 0.000000
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0.00000000D+00 0.00000000D+00 0.44809928D+13 0.51468783D+13 0.38773608D+13 0.15952906D+14 0.42844108D+14 0.00000000D+00
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# kpt# 10 kpt= 0.250000 0.500000 0.000000
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0.00000000D+00 0.22586724D+14 0.24590641D+14 0.65758688D+13 0.11473969D+15 0.27389785D+14 0.34177176D+14 0.11786705D+15
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# kpt# 11 kpt= 0.500000 0.500000 0.000000
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0.00000000D+00 0.00000000D+00 0.53190826D+13 0.55780756D+13 0.39623688D+13 0.15624921D+14 0.84238792D+14 0.00000000D+00
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# kpt# 12 kpt= -0.250000 0.500000 0.000000
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0.00000000D+00 0.22870795D+14 0.25514395D+14 0.65216795D+13 0.12201318D+15 0.28024093D+14 0.36684404D+14 0.12057210D+15
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# kpt# 13 kpt= 0.000000 -0.250000 0.000000
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0.00000000D+00 0.10553924D+14 0.76697978D+13 0.22734111D+14 0.19809740D+14 0.43737431D+14 0.68244085D+14 0.00000000D+00
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# kpt# 14 kpt= 0.250000 -0.250000 0.000000
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0.00000000D+00 0.10408851D+14 0.93470789D+13 0.18910266D+14 0.14690601D+14 0.30821362D+14 0.94689777D+14 0.00000000D+00
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# kpt# 15 kpt= 0.500000 -0.250000 0.000000
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0.00000000D+00 0.16423665D+14 0.15969261D+14 0.57568047D+13 0.95935122D+14 0.29367800D+14 0.32687364D+14 0.10740224D+15
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# kpt# 16 kpt= -0.250000 -0.250000 0.000000
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0.00000000D+00 0.15248382D+14 0.15241813D+14 0.45671604D+13 0.67385963D+14 0.27609144D+14 0.33541331D+14 0.69072468D+14
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# kpt# 17 kpt= 0.000000 0.000000 0.250000
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0.00000000D+00 0.00000000D+00 0.94042898D+13 0.36426023D+14 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
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# kpt# 18 kpt= 0.250000 0.000000 0.250000
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0.00000000D+00 0.00000000D+00 0.99100943D+13 0.32919555D+14 0.26492468D+14 0.65763098D+14 0.51635466D+14 0.00000000D+00
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# kpt# 19 kpt= 0.500000 0.000000 0.250000
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0.00000000D+00 0.00000000D+00 0.32101476D+13 0.43412651D+13 0.39047522D+13 0.33940207D+14 0.42731068D+14 0.00000000D+00
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# kpt# 20 kpt= -0.250000 0.000000 0.250000
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0.00000000D+00 0.00000000D+00 0.10727937D+14 0.34720554D+14 0.30601148D+14 0.64751183D+14 0.47132613D+14 0.00000000D+00
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# kpt# 21 kpt= 0.000000 0.250000 0.250000
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0.00000000D+00 0.00000000D+00 0.69156564D+13 0.42116537D+14 0.37771235D+14 0.68248530D+14 0.38556294D+14 0.00000000D+00
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# kpt# 22 kpt= 0.250000 0.250000 0.250000
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0.00000000D+00 0.85418831D+13 0.10727275D+14 0.12740342D+14 0.61438622D+13 0.18986364D+14 0.51540083D+14 0.00000000D+00
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# kpt# 23 kpt= 0.500000 0.250000 0.250000
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0.00000000D+00 0.84034294D+13 0.15255642D+14 0.19937570D+14 0.77708838D+13 0.24528401D+14 0.46802055D+14 0.00000000D+00
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# kpt# 24 kpt= -0.250000 0.250000 0.250000
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0.00000000D+00 0.00000000D+00 0.57662249D+13 0.28493083D+14 0.42444347D+14 0.92261525D+14 0.36206967D+14 0.00000000D+00
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# kpt# 25 kpt= 0.000000 0.500000 0.250000
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0.00000000D+00 0.00000000D+00 0.89618630D+13 0.12439676D+14 0.74411211D+13 0.33248610D+14 0.39065420D+14 0.00000000D+00
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# kpt# 26 kpt= 0.250000 0.500000 0.250000
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0.00000000D+00 0.81244126D+13 0.18194034D+14 0.20596167D+14 0.46701433D+13 0.23365434D+14 0.47972902D+14 0.00000000D+00
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# kpt# 27 kpt= 0.500000 0.500000 0.250000
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0.00000000D+00 0.00000000D+00 0.84858692D+13 0.12476999D+14 0.85931702D+13 0.54417957D+14 0.76606224D+14 0.00000000D+00
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# kpt# 28 kpt= -0.250000 0.500000 0.250000
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0.00000000D+00 0.87925410D+13 0.18953673D+14 0.20845153D+14 0.47609910D+13 0.24690154D+14 0.50071889D+14 0.00000000D+00
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# kpt# 29 kpt= 0.000000 -0.250000 0.250000
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0.00000000D+00 0.00000000D+00 0.70803338D+13 0.41767320D+14 0.39302015D+14 0.71249486D+14 0.36562289D+14 0.00000000D+00
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# kpt# 30 kpt= 0.250000 -0.250000 0.250000
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0.00000000D+00 0.00000000D+00 0.75475545D+13 0.28478394D+14 0.43391580D+14 0.94058387D+14 0.40262939D+14 0.00000000D+00
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# kpt# 31 kpt= 0.500000 -0.250000 0.250000
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0.00000000D+00 0.77575561D+13 0.16124714D+14 0.20149199D+14 0.73344093D+13 0.23516638D+14 0.45305742D+14 0.00000000D+00
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# kpt# 32 kpt= -0.250000 -0.250000 0.250000
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0.00000000D+00 0.74253937D+13 0.11439730D+14 0.14479980D+14 0.60870608D+13 0.20768465D+14 0.52115533D+14 0.00000000D+00
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# kpt# 33 kpt= 0.000000 0.000000 0.500000
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0.00000000D+00 0.00000000D+00 0.69681494D+13 0.74624972D+13 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
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# kpt# 34 kpt= 0.250000 0.000000 0.500000
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0.00000000D+00 0.00000000D+00 0.44869959D+14 0.47810132D+14 0.74886319D+14 0.55628720D+14 0.00000000D+00 0.00000000D+00
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# kpt# 35 kpt= 0.500000 0.000000 0.500000
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0.00000000D+00 0.00000000D+00 0.91565993D+13 0.58523871D+13 0.87442200D+13 0.84241781D+13 0.20949717D+14 0.54482437D+14
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# kpt# 36 kpt= -0.250000 0.000000 0.500000
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0.00000000D+00 0.00000000D+00 0.44062814D+14 0.46934828D+14 0.74172011D+14 0.47926435D+14 0.00000000D+00 0.00000000D+00
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# kpt# 37 kpt= 0.000000 0.250000 0.500000
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0.00000000D+00 0.00000000D+00 0.47484025D+14 0.52182077D+14 0.91449302D+14 0.60443572D+14 0.00000000D+00 0.00000000D+00
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# kpt# 38 kpt= 0.250000 0.250000 0.500000
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0.00000000D+00 0.00000000D+00 0.12726807D+14 0.13751692D+14 0.25091494D+14 0.25086078D+14 0.00000000D+00 0.00000000D+00
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# kpt# 39 kpt= 0.500000 0.250000 0.500000
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0.00000000D+00 0.00000000D+00 0.16698404D+14 0.19507696D+14 0.26847074D+14 0.26840726D+14 0.00000000D+00 0.00000000D+00
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# kpt# 40 kpt= -0.250000 0.250000 0.500000
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0.00000000D+00 0.00000000D+00 0.41090586D+14 0.42148432D+14 0.14795779D+15 0.10143976D+15 0.00000000D+00 0.00000000D+00
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# kpt# 41 kpt= 0.000000 0.500000 0.500000
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0.00000000D+00 0.00000000D+00 0.15340778D+14 0.16093255D+14 0.17924696D+14 0.18281493D+14 0.19108732D+14 0.47662833D+14
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# kpt# 42 kpt= 0.250000 0.500000 0.500000
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0.00000000D+00 0.00000000D+00 0.20719565D+14 0.22324705D+14 0.40279719D+14 0.40269631D+14 0.00000000D+00 0.00000000D+00
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# kpt# 43 kpt= 0.500000 0.500000 0.500000
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0.00000000D+00 0.00000000D+00 0.16637468D+14 0.12105180D+14 0.16406154D+14 0.15594030D+14 0.46618638D+14 0.68778685D+14
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# kpt# 44 kpt= -0.250000 0.500000 0.500000
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0.00000000D+00 0.00000000D+00 0.21921544D+14 0.23713463D+14 0.41944784D+14 0.41936340D+14 0.00000000D+00 0.00000000D+00
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# kpt# 45 kpt= 0.000000 -0.250000 0.500000
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0.00000000D+00 0.00000000D+00 0.47746277D+14 0.52490912D+14 0.87732430D+14 0.56846999D+14 0.00000000D+00 0.00000000D+00
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# kpt# 46 kpt= 0.250000 -0.250000 0.500000
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0.00000000D+00 0.00000000D+00 0.38685181D+14 0.39592976D+14 0.13970470D+15 0.86662424D+14 0.00000000D+00 0.00000000D+00
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# kpt# 47 kpt= 0.500000 -0.250000 0.500000
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0.00000000D+00 0.00000000D+00 0.18515532D+14 0.21308960D+14 0.27873841D+14 0.27867503D+14 0.00000000D+00 0.00000000D+00
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# kpt# 48 kpt= -0.250000 -0.250000 0.500000
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0.00000000D+00 0.00000000D+00 0.14066644D+14 0.14682520D+14 0.27271788D+14 0.27264657D+14 0.00000000D+00 0.00000000D+00
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# kpt# 49 kpt= 0.000000 0.000000 -0.250000
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0.00000000D+00 0.00000000D+00 0.94064445D+13 0.36486480D+14 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
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# kpt# 50 kpt= 0.250000 0.000000 -0.250000
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0.00000000D+00 0.00000000D+00 0.99024505D+13 0.33074236D+14 0.26179565D+14 0.66213732D+14 0.47425837D+14 0.00000000D+00
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# kpt# 51 kpt= 0.500000 0.000000 -0.250000
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0.00000000D+00 0.00000000D+00 0.33331649D+13 0.44295741D+13 0.39377780D+13 0.34044050D+14 0.44720134D+14 0.00000000D+00
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# kpt# 52 kpt= -0.250000 0.000000 -0.250000
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0.00000000D+00 0.00000000D+00 0.10718515D+14 0.33751671D+14 0.28882132D+14 0.67243514D+14 0.49523051D+14 0.00000000D+00
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# kpt# 53 kpt= 0.000000 0.250000 -0.250000
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0.00000000D+00 0.00000000D+00 0.69109491D+13 0.42261788D+14 0.37628653D+14 0.67113067D+14 0.37301258D+14 0.00000000D+00
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# kpt# 54 kpt= 0.250000 0.250000 -0.250000
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0.00000000D+00 0.85269882D+13 0.11224820D+14 0.13128626D+14 0.66029136D+13 0.20581980D+14 0.52507043D+14 0.00000000D+00
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# kpt# 55 kpt= 0.500000 0.250000 -0.250000
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0.00000000D+00 0.83972895D+13 0.15414714D+14 0.19710786D+14 0.75108547D+13 0.22972975D+14 0.46648559D+14 0.00000000D+00
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# kpt# 56 kpt= -0.250000 0.250000 -0.250000
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0.00000000D+00 0.00000000D+00 0.57584071D+13 0.28465793D+14 0.43138637D+14 0.91662592D+14 0.39521650D+14 0.00000000D+00
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# kpt# 57 kpt= 0.000000 0.500000 -0.250000
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0.00000000D+00 0.00000000D+00 0.89583270D+13 0.12466597D+14 0.74411018D+13 0.33241013D+14 0.39060863D+14 0.00000000D+00
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# kpt# 58 kpt= 0.250000 0.500000 -0.250000
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0.00000000D+00 0.80793132D+13 0.17939359D+14 0.20278351D+14 0.46700402D+13 0.24433497D+14 0.47752216D+14 0.00000000D+00
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# kpt# 59 kpt= 0.500000 0.500000 -0.250000
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0.00000000D+00 0.00000000D+00 0.83985315D+13 0.12502380D+14 0.85927720D+13 0.54372564D+14 0.74875302D+14 0.00000000D+00
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# kpt# 60 kpt= -0.250000 0.500000 -0.250000
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0.00000000D+00 0.87404611D+13 0.18484763D+14 0.20611435D+14 0.44573527D+13 0.23654672D+14 0.49826082D+14 0.00000000D+00
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# kpt# 61 kpt= 0.000000 -0.250000 -0.250000
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0.00000000D+00 0.00000000D+00 0.70743862D+13 0.41576913D+14 0.39222841D+14 0.72613179D+14 0.38150162D+14 0.00000000D+00
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# kpt# 62 kpt= 0.250000 -0.250000 -0.250000
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0.00000000D+00 0.00000000D+00 0.75576586D+13 0.29465783D+14 0.44868120D+14 0.91219664D+14 0.38361625D+14 0.00000000D+00
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# kpt# 63 kpt= 0.500000 -0.250000 -0.250000
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0.00000000D+00 0.77973644D+13 0.16001837D+14 0.20318476D+14 0.75909995D+13 0.25071066D+14 0.45450756D+14 0.00000000D+00
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# kpt# 64 kpt= -0.250000 -0.250000 -0.250000
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0.00000000D+00 0.75212081D+13 0.11729675D+14 0.14534966D+14 0.59599910D+13 0.19155356D+14 0.51717461D+14 0.00000000D+00
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# Temperature = 200.00000000
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# For isppol = 1
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# kpt# 1 kpt= 0.000000 0.000000 0.000000
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0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
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# kpt# 2 kpt= 0.250000 0.000000 0.000000
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0.00000000D+00 0.12009739D+14 0.12407365D+14 0.25214665D+14 0.36101958D+14 0.62265554D+14 0.10645642D+15 0.00000000D+00
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# kpt# 3 kpt= 0.500000 0.000000 0.000000
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0.00000000D+00 0.00000000D+00 0.49474666D+13 0.31554957D+13 0.19601407D+13 0.25573647D+14 0.70179207D+14 0.00000000D+00
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# kpt# 4 kpt= -0.250000 0.000000 0.000000
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0.00000000D+00 0.12117885D+14 0.13361310D+14 0.25404486D+14 0.31903317D+14 0.54291022D+14 0.11016829D+15 0.00000000D+00
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# kpt# 5 kpt= 0.000000 0.250000 0.000000
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0.00000000D+00 0.13650629D+14 0.11109221D+14 0.28092634D+14 0.24436820D+14 0.57165054D+14 0.94354248D+14 0.00000000D+00
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# kpt# 6 kpt= 0.250000 0.250000 0.000000
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0.00000000D+00 0.17592732D+14 0.19667024D+14 0.62659843D+13 0.95473656D+14 0.35517684D+14 0.44959950D+14 0.91249509D+14
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# kpt# 7 kpt= 0.500000 0.250000 0.000000
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0.00000000D+00 0.21647168D+14 0.20847896D+14 0.74170136D+13 0.13981250D+15 0.34772435D+14 0.41623310D+14 0.14279636D+15
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# kpt# 8 kpt= -0.250000 0.250000 0.000000
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0.00000000D+00 0.13186086D+14 0.10573833D+14 0.22423288D+14 0.24548004D+14 0.48204845D+14 0.12625335D+15 0.00000000D+00
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# kpt# 9 kpt= 0.000000 0.500000 0.000000
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0.00000000D+00 0.00000000D+00 0.55563715D+13 0.64345632D+13 0.47229421D+13 0.38433273D+14 0.57037882D+14 0.00000000D+00
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# kpt# 10 kpt= 0.250000 0.500000 0.000000
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0.00000000D+00 0.28830428D+14 0.32844993D+14 0.89542253D+13 0.16499020D+15 0.34218503D+14 0.42870414D+14 0.15168075D+15
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# kpt# 11 kpt= 0.500000 0.500000 0.000000
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0.00000000D+00 0.00000000D+00 0.64109811D+13 0.69210527D+13 0.48912028D+13 0.36288194D+14 0.11040897D+15 0.00000000D+00
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# kpt# 12 kpt= -0.250000 0.500000 0.000000
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0.00000000D+00 0.29122755D+14 0.33781394D+14 0.89081373D+13 0.17233082D+15 0.34850697D+14 0.45373786D+14 0.15435059D+15
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# kpt# 13 kpt= 0.000000 -0.250000 0.000000
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0.00000000D+00 0.13656615D+14 0.10243939D+14 0.28607863D+14 0.25154674D+14 0.56382835D+14 0.98194715D+14 0.00000000D+00
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# kpt# 14 kpt= 0.250000 -0.250000 0.000000
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0.00000000D+00 0.13398992D+14 0.12149062D+14 0.23878175D+14 0.19823704D+14 0.41390009D+14 0.13559562D+15 0.00000000D+00
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# kpt# 15 kpt= 0.500000 -0.250000 0.000000
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0.00000000D+00 0.21361356D+14 0.21506875D+14 0.81454249D+13 0.13880351D+15 0.38111245D+14 0.42401686D+14 0.13826810D+15
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# kpt# 16 kpt= -0.250000 -0.250000 0.000000
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0.00000000D+00 0.19369218D+14 0.20453067D+14 0.65821026D+13 0.95661053D+14 0.36579477D+14 0.44105375D+14 0.89159371D+14
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# kpt# 17 kpt= 0.000000 0.000000 0.250000
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0.00000000D+00 0.00000000D+00 0.11442742D+14 0.40607694D+14 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
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# kpt# 18 kpt= 0.250000 0.000000 0.250000
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0.00000000D+00 0.00000000D+00 0.12646542D+14 0.44820765D+14 0.35188181D+14 0.90173246D+14 0.67853476D+14 0.00000000D+00
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# kpt# 19 kpt= 0.500000 0.000000 0.250000
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0.00000000D+00 0.00000000D+00 0.41856239D+13 0.59954319D+13 0.48467780D+13 0.42248991D+14 0.58330138D+14 0.00000000D+00
|
|
# kpt# 20 kpt= -0.250000 0.000000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.13478305D+14 0.47126080D+14 0.39802634D+14 0.88316493D+14 0.61129703D+14 0.00000000D+00
|
|
# kpt# 21 kpt= 0.000000 0.250000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.90706494D+13 0.58344935D+14 0.50527882D+14 0.94034219D+14 0.50668884D+14 0.00000000D+00
|
|
# kpt# 22 kpt= 0.250000 0.250000 0.250000
|
|
0.00000000D+00 0.11180578D+14 0.15283771D+14 0.18466463D+14 0.22757140D+14 0.23981827D+14 0.65572722D+14 0.00000000D+00
|
|
# kpt# 23 kpt= 0.500000 0.250000 0.250000
|
|
0.00000000D+00 0.11019113D+14 0.22084919D+14 0.28538623D+14 0.26561748D+14 0.31522179D+14 0.59037828D+14 0.00000000D+00
|
|
# kpt# 24 kpt= -0.250000 0.250000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.79087664D+13 0.38876721D+14 0.56601741D+14 0.13028808D+15 0.46345742D+14 0.00000000D+00
|
|
# kpt# 25 kpt= 0.000000 0.500000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.11191993D+14 0.16310663D+14 0.89655102D+13 0.41596588D+14 0.51793862D+14 0.00000000D+00
|
|
# kpt# 26 kpt= 0.250000 0.500000 0.250000
|
|
0.00000000D+00 0.10576982D+14 0.23992265D+14 0.27859934D+14 0.18485214D+14 0.28383330D+14 0.60482264D+14 0.00000000D+00
|
|
# kpt# 27 kpt= 0.500000 0.500000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.10735310D+14 0.16651555D+14 0.10376590D+14 0.68395463D+14 0.99003591D+14 0.00000000D+00
|
|
# kpt# 28 kpt= -0.250000 0.500000 0.250000
|
|
0.00000000D+00 0.11281517D+14 0.24817671D+14 0.28082466D+14 0.19010728D+14 0.30521713D+14 0.62475114D+14 0.00000000D+00
|
|
# kpt# 29 kpt= 0.000000 -0.250000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.92328549D+13 0.58107639D+14 0.52003264D+14 0.95896365D+14 0.47668235D+14 0.00000000D+00
|
|
# kpt# 30 kpt= 0.250000 -0.250000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.96868663D+13 0.38554543D+14 0.57386965D+14 0.13265177D+15 0.52310395D+14 0.00000000D+00
|
|
# kpt# 31 kpt= 0.500000 -0.250000 0.250000
|
|
0.00000000D+00 0.10350382D+14 0.23064999D+14 0.28604324D+14 0.25459121D+14 0.29342974D+14 0.57353999D+14 0.00000000D+00
|
|
# kpt# 32 kpt= -0.250000 -0.250000 0.250000
|
|
0.00000000D+00 0.99894846D+13 0.16098600D+14 0.20303190D+14 0.22690862D+14 0.26920401D+14 0.66519032D+14 0.00000000D+00
|
|
# kpt# 33 kpt= 0.000000 0.000000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.83126051D+13 0.88872017D+13 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
|
|
# kpt# 34 kpt= 0.250000 0.000000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.55163033D+14 0.60016652D+14 0.94172109D+14 0.68588021D+14 0.00000000D+00 0.00000000D+00
|
|
# kpt# 35 kpt= 0.500000 0.000000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.12143606D+14 0.74098915D+13 0.10676191D+14 0.10251114D+14 0.25917153D+14 0.71123792D+14
|
|
# kpt# 36 kpt= -0.250000 0.000000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.54344137D+14 0.59146466D+14 0.93504813D+14 0.60880458D+14 0.00000000D+00 0.00000000D+00
|
|
# kpt# 37 kpt= 0.000000 0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.61830306D+14 0.70405679D+14 0.11791449D+15 0.78129999D+14 0.00000000D+00 0.00000000D+00
|
|
# kpt# 38 kpt= 0.250000 0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.17381545D+14 0.19095099D+14 0.33121580D+14 0.33113322D+14 0.00000000D+00 0.00000000D+00
|
|
# kpt# 39 kpt= 0.500000 0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.22558795D+14 0.27694333D+14 0.34954480D+14 0.34945479D+14 0.00000000D+00 0.00000000D+00
|
|
# kpt# 40 kpt= -0.250000 0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.52908803D+14 0.55850622D+14 0.19089883D+15 0.12776420D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 41 kpt= 0.000000 0.500000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.19740866D+14 0.20062274D+14 0.21525007D+14 0.21966963D+14 0.23655162D+14 0.59678653D+14
|
|
# kpt# 42 kpt= 0.250000 0.500000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.26097453D+14 0.28756109D+14 0.49885976D+14 0.49872434D+14 0.00000000D+00 0.00000000D+00
|
|
# kpt# 43 kpt= 0.500000 0.500000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.21497951D+14 0.15506655D+14 0.19434850D+14 0.18405292D+14 0.55852578D+14 0.83573865D+14
|
|
# kpt# 44 kpt= -0.250000 0.500000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.27297386D+14 0.30126080D+14 0.51549098D+14 0.51537335D+14 0.00000000D+00 0.00000000D+00
|
|
# kpt# 45 kpt= 0.000000 -0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.62149752D+14 0.70773192D+14 0.11430277D+15 0.74636065D+14 0.00000000D+00 0.00000000D+00
|
|
# kpt# 46 kpt= 0.250000 -0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.50497697D+14 0.53292597D+14 0.18274731D+15 0.11306716D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 47 kpt= 0.500000 -0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.24348396D+14 0.29470814D+14 0.35980578D+14 0.35971590D+14 0.00000000D+00 0.00000000D+00
|
|
# kpt# 48 kpt= -0.250000 -0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.18674938D+14 0.20015858D+14 0.35298897D+14 0.35288755D+14 0.00000000D+00 0.00000000D+00
|
|
# kpt# 49 kpt= 0.000000 0.000000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.11445160D+14 0.40700617D+14 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
|
|
# kpt# 50 kpt= 0.250000 0.000000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.12639705D+14 0.45505998D+14 0.35581349D+14 0.89692116D+14 0.61233106D+14 0.00000000D+00
|
|
# kpt# 51 kpt= 0.500000 0.000000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.43109591D+13 0.60857746D+13 0.48776056D+13 0.42342586D+14 0.60512884D+14 0.00000000D+00
|
|
# kpt# 52 kpt= -0.250000 0.000000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.13471494D+14 0.45751881D+14 0.37757861D+14 0.91461477D+14 0.65754609D+14 0.00000000D+00
|
|
# kpt# 53 kpt= 0.000000 0.250000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.90645109D+13 0.58607846D+14 0.50312899D+14 0.91883595D+14 0.48399469D+14 0.00000000D+00
|
|
# kpt# 54 kpt= 0.250000 0.250000 -0.250000
|
|
0.00000000D+00 0.11128115D+14 0.15870476D+14 0.18957422D+14 0.23869091D+14 0.26723502D+14 0.66944422D+14 0.00000000D+00
|
|
# kpt# 55 kpt= 0.500000 0.250000 -0.250000
|
|
0.00000000D+00 0.11000328D+14 0.22320553D+14 0.28169661D+14 0.25938534D+14 0.28787839D+14 0.58715959D+14 0.00000000D+00
|
|
# kpt# 56 kpt= -0.250000 0.250000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.78953963D+13 0.38382228D+14 0.56926627D+14 0.13066897D+15 0.51677370D+14 0.00000000D+00
|
|
# kpt# 57 kpt= 0.000000 0.500000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.11186980D+14 0.16336431D+14 0.89654990D+13 0.41589014D+14 0.51789000D+14 0.00000000D+00
|
|
# kpt# 58 kpt= 0.250000 0.500000 -0.250000
|
|
0.00000000D+00 0.10544077D+14 0.23794177D+14 0.27521329D+14 0.18821837D+14 0.30251600D+14 0.60113310D+14 0.00000000D+00
|
|
# kpt# 59 kpt= 0.500000 0.500000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.10644094D+14 0.16673948D+14 0.10376020D+14 0.68354658D+14 0.97043703D+14 0.00000000D+00
|
|
# kpt# 60 kpt= -0.250000 0.500000 -0.250000
|
|
0.00000000D+00 0.11227400D+14 0.24268328D+14 0.27888775D+14 0.18421206D+14 0.28690060D+14 0.62363333D+14 0.00000000D+00
|
|
# kpt# 61 kpt= 0.000000 -0.250000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.92303306D+13 0.57838600D+14 0.51987408D+14 0.98268069D+14 0.50299789D+14 0.00000000D+00
|
|
# kpt# 62 kpt= 0.250000 -0.250000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.97057663D+13 0.39904229D+14 0.58923869D+14 0.12922405D+15 0.48540918D+14 0.00000000D+00
|
|
# kpt# 63 kpt= 0.500000 -0.250000 -0.250000
|
|
0.00000000D+00 0.10399201D+14 0.22872498D+14 0.28917854D+14 0.26072778D+14 0.32076090D+14 0.57667327D+14 0.00000000D+00
|
|
# kpt# 64 kpt= -0.250000 -0.250000 -0.250000
|
|
0.00000000D+00 0.10114336D+14 0.16322548D+14 0.20235743D+14 0.21884011D+14 0.24159038D+14 0.65735882D+14 0.00000000D+00
|
|
|
|
|
|
|
|
# Temperature = 300.00000000
|
|
# For isppol = 1
|
|
# kpt# 1 kpt= 0.000000 0.000000 0.000000
|
|
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
|
|
# kpt# 2 kpt= 0.250000 0.000000 0.000000
|
|
0.00000000D+00 0.15443535D+14 0.16084279D+14 0.32189185D+14 0.45664221D+14 0.80127214D+14 0.14276520D+15 0.00000000D+00
|
|
# kpt# 3 kpt= 0.500000 0.000000 0.000000
|
|
0.00000000D+00 0.00000000D+00 0.62767175D+13 0.43311888D+13 0.26117178D+13 0.40787799D+14 0.93207881D+14 0.00000000D+00
|
|
# kpt# 4 kpt= -0.250000 0.000000 0.000000
|
|
0.00000000D+00 0.15505552D+14 0.17034822D+14 0.32356784D+14 0.41455746D+14 0.72207844D+14 0.14689076D+15 0.00000000D+00
|
|
# kpt# 5 kpt= 0.000000 0.250000 0.000000
|
|
0.00000000D+00 0.17735450D+14 0.14527661D+14 0.36007362D+14 0.31856181D+14 0.74786716D+14 0.12910332D+15 0.00000000D+00
|
|
# kpt# 6 kpt= 0.250000 0.250000 0.000000
|
|
0.00000000D+00 0.23109807D+14 0.26371047D+14 0.86937091D+13 0.12928186D+15 0.47539045D+14 0.59103155D+14 0.11898740D+15
|
|
# kpt# 7 kpt= 0.500000 0.250000 0.000000
|
|
0.00000000D+00 0.28183239D+14 0.27911703D+14 0.10295365D+14 0.19044324D+15 0.46724828D+14 0.54720402D+14 0.18614631D+15
|
|
# kpt# 8 kpt= -0.250000 0.250000 0.000000
|
|
0.00000000D+00 0.17226325D+14 0.14270806D+14 0.29073002D+14 0.31516566D+14 0.62595625D+14 0.17326433D+15 0.00000000D+00
|
|
# kpt# 9 kpt= 0.000000 0.500000 0.000000
|
|
0.00000000D+00 0.00000000D+00 0.70584438D+13 0.82563830D+13 0.59959610D+13 0.62556419D+14 0.76089954D+14 0.00000000D+00
|
|
# kpt# 10 kpt= 0.250000 0.500000 0.000000
|
|
0.00000000D+00 0.37271971D+14 0.43603987D+14 0.11967157D+14 0.22484419D+15 0.44197801D+14 0.55322787D+14 0.19860069D+15
|
|
# kpt# 11 kpt= 0.500000 0.500000 0.000000
|
|
0.00000000D+00 0.00000000D+00 0.80122553D+13 0.88619717D+13 0.62571253D+13 0.58548940D+14 0.14617342D+15 0.00000000D+00
|
|
# kpt# 12 kpt= -0.250000 0.500000 0.000000
|
|
0.00000000D+00 0.37580442D+14 0.44562990D+14 0.11932228D+14 0.23225270D+15 0.44819029D+14 0.57823747D+14 0.20122694D+15
|
|
# kpt# 13 kpt= 0.000000 -0.250000 0.000000
|
|
0.00000000D+00 0.17748948D+14 0.13663209D+14 0.36503058D+14 0.32575902D+14 0.73980252D+14 0.13332573D+15 0.00000000D+00
|
|
# kpt# 14 kpt= 0.250000 -0.250000 0.000000
|
|
0.00000000D+00 0.17358136D+14 0.15842203D+14 0.30474973D+14 0.26780204D+14 0.55855223D+14 0.18324133D+15 0.00000000D+00
|
|
# kpt# 15 kpt= 0.500000 -0.250000 0.000000
|
|
0.00000000D+00 0.27920688D+14 0.28629523D+14 0.11021830D+14 0.18942316D+15 0.49979412D+14 0.55569664D+14 0.18156087D+15
|
|
# kpt# 16 kpt= -0.250000 -0.250000 0.000000
|
|
0.00000000D+00 0.24920806D+14 0.27171003D+14 0.89903908D+13 0.12947043D+15 0.48549044D+14 0.58426184D+14 0.11705322D+15
|
|
# kpt# 17 kpt= 0.000000 0.000000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.14574900D+14 0.46827589D+14 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
|
|
# kpt# 18 kpt= 0.250000 0.000000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.16491096D+14 0.59015982D+14 0.46881836D+14 0.12111306D+15 0.88942506D+14 0.00000000D+00
|
|
# kpt# 19 kpt= 0.500000 0.000000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.54800926D+13 0.81246028D+13 0.62094266D+13 0.54488844D+14 0.78652158D+14 0.00000000D+00
|
|
# kpt# 20 kpt= -0.250000 0.000000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.17343993D+14 0.61854442D+14 0.52066307D+14 0.11830764D+15 0.79639569D+14 0.00000000D+00
|
|
# kpt# 21 kpt= 0.000000 0.250000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.11966107D+14 0.77338363D+14 0.67363886D+14 0.12669785D+15 0.66429208D+14 0.00000000D+00
|
|
# kpt# 22 kpt= 0.250000 0.250000 0.250000
|
|
0.00000000D+00 0.14759566D+14 0.20844211D+14 0.25447105D+14 0.40703317D+14 0.30840580D+14 0.84568968D+14 0.00000000D+00
|
|
# kpt# 23 kpt= 0.500000 0.250000 0.250000
|
|
0.00000000D+00 0.14582536D+14 0.30222722D+14 0.38975748D+14 0.46620432D+14 0.41009509D+14 0.75841252D+14 0.00000000D+00
|
|
# kpt# 24 kpt= -0.250000 0.250000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.10758166D+14 0.51138940D+14 0.75378148D+14 0.17677054D+15 0.60193613D+14 0.00000000D+00
|
|
# kpt# 25 kpt= 0.000000 0.500000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.14281073D+14 0.21510985D+14 0.11195206D+14 0.53878411D+14 0.68693617D+14 0.00000000D+00
|
|
# kpt# 26 kpt= 0.250000 0.500000 0.250000
|
|
0.00000000D+00 0.14007884D+14 0.31551415D+14 0.37108651D+14 0.33885030D+14 0.35816939D+14 0.77849995D+14 0.00000000D+00
|
|
# kpt# 27 kpt= 0.500000 0.500000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.13787716D+14 0.22151831D+14 0.12980235D+14 0.89193592D+14 0.12971547D+15 0.00000000D+00
|
|
# kpt# 28 kpt= -0.250000 0.500000 0.250000
|
|
0.00000000D+00 0.14754466D+14 0.32454272D+14 0.37300615D+14 0.34815498D+14 0.38861585D+14 0.79806192D+14 0.00000000D+00
|
|
# kpt# 29 kpt= 0.000000 -0.250000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.12126887D+14 0.77257413D+14 0.68784593D+14 0.12731239D+15 0.62297613D+14 0.00000000D+00
|
|
# kpt# 30 kpt= 0.250000 -0.250000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.12536603D+14 0.50497416D+14 0.75961679D+14 0.17974506D+15 0.68243951D+14 0.00000000D+00
|
|
# kpt# 31 kpt= 0.500000 -0.250000 0.250000
|
|
0.00000000D+00 0.13883214D+14 0.31346842D+14 0.38875550D+14 0.45097597D+14 0.37530176D+14 0.73967225D+14 0.00000000D+00
|
|
# kpt# 32 kpt= -0.250000 -0.250000 0.250000
|
|
0.00000000D+00 0.13471408D+14 0.21778331D+14 0.27399822D+14 0.40801482D+14 0.35102593D+14 0.85966148D+14 0.00000000D+00
|
|
# kpt# 33 kpt= 0.000000 0.000000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.10279080D+14 0.10990653D+14 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
|
|
# kpt# 34 kpt= 0.250000 0.000000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.69658500D+14 0.76717218D+14 0.12120250D+15 0.86767517D+14 0.00000000D+00 0.00000000D+00
|
|
# kpt# 35 kpt= 0.500000 0.000000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.15896482D+14 0.95105304D+13 0.13402560D+14 0.12840497D+14 0.32685252D+14 0.93171383D+14
|
|
# kpt# 36 kpt= -0.250000 0.000000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.68823959D+14 0.75854528D+14 0.12060417D+15 0.79060987D+14 0.00000000D+00 0.00000000D+00
|
|
# kpt# 37 kpt= 0.000000 0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.80618705D+14 0.93480275D+14 0.15344617D+15 0.10159112D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 38 kpt= 0.250000 0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.23413587D+14 0.25855255D+14 0.43944699D+14 0.43933305D+14 0.00000000D+00 0.00000000D+00
|
|
# kpt# 39 kpt= 0.500000 0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.30272413D+14 0.37902836D+14 0.46037383D+14 0.46025378D+14 0.00000000D+00 0.00000000D+00
|
|
# kpt# 40 kpt= -0.250000 0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.68410142D+14 0.73380418D+14 0.24870946D+15 0.16371629D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 41 kpt= 0.000000 0.500000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.25495141D+14 0.25537599D+14 0.26868724D+14 0.27449071D+14 0.30080831D+14 0.76339263D+14
|
|
# kpt# 42 kpt= 0.250000 0.500000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.33739244D+14 0.37634217D+14 0.64009925D+14 0.63992390D+14 0.00000000D+00 0.00000000D+00
|
|
# kpt# 43 kpt= 0.500000 0.500000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.27809888D+14 0.20033117D+14 0.24012069D+14 0.22712074D+14 0.69909682D+14 0.10554164D+15
|
|
# kpt# 44 kpt= -0.250000 0.500000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.34936781D+14 0.38974496D+14 0.65669977D+14 0.65654430D+14 0.00000000D+00 0.00000000D+00
|
|
# kpt# 45 kpt= 0.000000 -0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.81019599D+14 0.93930734D+14 0.14997151D+15 0.98231718D+14 0.00000000D+00 0.00000000D+00
|
|
# kpt# 46 kpt= 0.250000 -0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.65989499D+14 0.70822102D+14 0.24069705D+15 0.14913020D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 47 kpt= 0.500000 -0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.32025458D+14 0.39645517D+14 0.47061846D+14 0.47049857D+14 0.00000000D+00 0.00000000D+00
|
|
# kpt# 48 kpt= -0.250000 -0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.24641161D+14 0.26764606D+14 0.46117630D+14 0.46104111D+14 0.00000000D+00 0.00000000D+00
|
|
# kpt# 49 kpt= 0.000000 0.000000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.14577556D+14 0.46956159D+14 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
|
|
# kpt# 50 kpt= 0.250000 0.000000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.16485491D+14 0.60283336D+14 0.48040279D+14 0.11961743D+15 0.79596260D+14 0.00000000D+00
|
|
# kpt# 51 kpt= 0.500000 0.000000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.56073794D+13 0.82166045D+13 0.62379281D+13 0.54571437D+14 0.81021398D+14 0.00000000D+00
|
|
# kpt# 52 kpt= -0.250000 0.000000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.17339535D+14 0.60033075D+14 0.49612635D+14 0.12220502D+15 0.86821562D+14 0.00000000D+00
|
|
# kpt# 53 kpt= 0.000000 0.250000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.11959664D+14 0.77751893D+14 0.67088468D+14 0.12343822D+15 0.63016854D+14 0.00000000D+00
|
|
# kpt# 54 kpt= 0.250000 0.250000 -0.250000
|
|
0.00000000D+00 0.14661754D+14 0.21528557D+14 0.26060875D+14 0.42337728D+14 0.34887072D+14 0.86434945D+14 0.00000000D+00
|
|
# kpt# 55 kpt= 0.500000 0.250000 -0.250000
|
|
0.00000000D+00 0.14546602D+14 0.30558499D+14 0.38444678D+14 0.45712731D+14 0.36964915D+14 0.75353754D+14 0.00000000D+00
|
|
# kpt# 56 kpt= -0.250000 0.250000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.10738539D+14 0.50133388D+14 0.75282621D+14 0.17824791D+15 0.67758695D+14 0.00000000D+00
|
|
# kpt# 57 kpt= 0.000000 0.500000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.14274743D+14 0.21535721D+14 0.11195201D+14 0.53871014D+14 0.68688369D+14 0.00000000D+00
|
|
# kpt# 58 kpt= 0.250000 0.500000 -0.250000
|
|
0.00000000D+00 0.13986205D+14 0.31423814D+14 0.36744709D+14 0.34509384D+14 0.38574806D+14 0.77380780D+14 0.00000000D+00
|
|
# kpt# 59 kpt= 0.500000 0.500000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.13692561D+14 0.22171220D+14 0.12979486D+14 0.89157704D+14 0.12753434D+15 0.00000000D+00
|
|
# kpt# 60 kpt= -0.250000 0.500000 -0.250000
|
|
0.00000000D+00 0.14699789D+14 0.31811688D+14 0.37150576D+14 0.34003431D+14 0.36144603D+14 0.79780413D+14 0.00000000D+00
|
|
# kpt# 61 kpt= 0.000000 -0.250000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.12126573D+14 0.76881684D+14 0.68819714D+14 0.13078559D+15 0.66103123D+14 0.00000000D+00
|
|
# kpt# 62 kpt= 0.250000 -0.250000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.12564833D+14 0.52246926D+14 0.77633242D+14 0.17559527D+15 0.62381957D+14 0.00000000D+00
|
|
# kpt# 63 kpt= 0.500000 -0.250000 -0.250000
|
|
0.00000000D+00 0.13945317D+14 0.31061093D+14 0.39353268D+14 0.45992510D+14 0.41573306D+14 0.74446170D+14 0.00000000D+00
|
|
# kpt# 64 kpt= -0.250000 -0.250000 -0.250000
|
|
0.00000000D+00 0.13632682D+14 0.21926412D+14 0.27190796D+14 0.39395806D+14 0.31034276D+14 0.84708883D+14 0.00000000D+00
|
|
|
|
|
|
|
|
# Temperature = 400.00000000
|
|
# For isppol = 1
|
|
# kpt# 1 kpt= 0.000000 0.000000 0.000000
|
|
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
|
|
# kpt# 2 kpt= 0.250000 0.000000 0.000000
|
|
0.00000000D+00 0.19273373D+14 0.20216156D+14 0.39950790D+14 0.56434588D+14 0.99970896D+14 0.18163496D+15 0.00000000D+00
|
|
# kpt# 3 kpt= 0.500000 0.000000 0.000000
|
|
0.00000000D+00 0.00000000D+00 0.77391418D+13 0.56106941D+13 0.33212226D+13 0.55896109D+14 0.11869452D+15 0.00000000D+00
|
|
# kpt# 4 kpt= -0.250000 0.000000 0.000000
|
|
0.00000000D+00 0.19282056D+14 0.21162749D+14 0.40090213D+14 0.52214276D+14 0.92112500D+14 0.18623094D+15 0.00000000D+00
|
|
# kpt# 5 kpt= 0.000000 0.250000 0.000000
|
|
0.00000000D+00 0.22206862D+14 0.18272024D+14 0.44717810D+14 0.40094845D+14 0.94361277D+14 0.16574665D+15 0.00000000D+00
|
|
# kpt# 6 kpt= 0.250000 0.250000 0.000000
|
|
0.00000000D+00 0.29179045D+14 0.33654158D+14 0.11265398D+14 0.16493833D+15 0.60727060D+14 0.74679219D+14 0.14973628D+15
|
|
# kpt# 7 kpt= 0.500000 0.250000 0.000000
|
|
0.00000000D+00 0.35341443D+14 0.35574089D+14 0.13351363D+14 0.24363930D+15 0.59880578D+14 0.69149065D+14 0.23420084D+15
|
|
# kpt# 8 kpt= -0.250000 0.250000 0.000000
|
|
0.00000000D+00 0.21651062D+14 0.18306504D+14 0.36365982D+14 0.39176655D+14 0.78484112D+14 0.22268610D+15 0.00000000D+00
|
|
# kpt# 9 kpt= 0.000000 0.500000 0.000000
|
|
0.00000000D+00 0.00000000D+00 0.87345876D+13 0.10298190D+14 0.74529136D+13 0.86470155D+14 0.97102809D+14 0.00000000D+00
|
|
# kpt# 10 kpt= 0.250000 0.500000 0.000000
|
|
0.00000000D+00 0.46586962D+14 0.55341157D+14 0.15230330D+14 0.28792782D+15 0.55483453D+14 0.69307351D+14 0.25045950D+15
|
|
# kpt# 11 kpt= 0.500000 0.500000 0.000000
|
|
0.00000000D+00 0.00000000D+00 0.98285713D+13 0.11055065D+14 0.78068094D+13 0.80679382D+14 0.18592090D+15 0.00000000D+00
|
|
# kpt# 12 kpt= -0.250000 0.500000 0.000000
|
|
0.00000000D+00 0.46915136D+14 0.56327025D+14 0.15207918D+14 0.29535886D+15 0.56091172D+14 0.71806443D+14 0.25304178D+15
|
|
# kpt# 13 kpt= 0.000000 -0.250000 0.000000
|
|
0.00000000D+00 0.22228915D+14 0.17408551D+14 0.45197926D+14 0.40816675D+14 0.93527584D+14 0.17037261D+15 0.00000000D+00
|
|
# kpt# 14 kpt= 0.250000 -0.250000 0.000000
|
|
0.00000000D+00 0.21693233D+14 0.19873561D+14 0.37706134D+14 0.34426644D+14 0.71821690D+14 0.23336705D+15 0.00000000D+00
|
|
# kpt# 15 kpt= 0.500000 -0.250000 0.000000
|
|
0.00000000D+00 0.35102634D+14 0.36357959D+14 0.14075689D+14 0.24261632D+15 0.63047068D+14 0.70079031D+14 0.22954899D+15
|
|
# kpt# 16 kpt= -0.250000 -0.250000 0.000000
|
|
0.00000000D+00 0.31028250D+14 0.34467804D+14 0.11540311D+14 0.16512955D+15 0.61680246D+14 0.74199777D+14 0.14797102D+15
|
|
# kpt# 17 kpt= 0.000000 0.000000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.18156178D+14 0.53894322D+14 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
|
|
# kpt# 18 kpt= 0.250000 0.000000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.20781348D+14 0.74157342D+14 0.59787391D+14 0.15462776D+15 0.11192713D+15 0.00000000D+00
|
|
# kpt# 19 kpt= 0.500000 0.000000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.68912551D+13 0.10436580D+14 0.77470700D+13 0.68348517D+14 0.10074139D+15 0.00000000D+00
|
|
# kpt# 20 kpt= -0.250000 0.000000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.21658150D+14 0.77503048D+14 0.65550287D+14 0.15085457D+15 0.99965449D+14 0.00000000D+00
|
|
# kpt# 21 kpt= 0.000000 0.250000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.15148972D+14 0.97345259D+14 0.85816554D+14 0.16199623D+15 0.83592123D+14 0.00000000D+00
|
|
# kpt# 22 kpt= 0.250000 0.250000 0.250000
|
|
0.00000000D+00 0.18704944D+14 0.26783286D+14 0.32893584D+14 0.57863274D+14 0.38439372D+14 0.10553608D+15 0.00000000D+00
|
|
# kpt# 23 kpt= 0.500000 0.250000 0.250000
|
|
0.00000000D+00 0.18510871D+14 0.38848941D+14 0.50088444D+14 0.65909590D+14 0.51446804D+14 0.94445998D+14 0.00000000D+00
|
|
# kpt# 24 kpt= -0.250000 0.250000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.13877188D+14 0.64134310D+14 0.95996413D+14 0.22651730D+15 0.75523357D+14 0.00000000D+00
|
|
# kpt# 25 kpt= 0.000000 0.500000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.17711857D+14 0.27238241D+14 0.13724407D+14 0.67769629D+14 0.87238418D+14 0.00000000D+00
|
|
# kpt# 26 kpt= 0.250000 0.500000 0.250000
|
|
0.00000000D+00 0.17829010D+14 0.39821188D+14 0.47146866D+14 0.48812029D+14 0.44261692D+14 0.97158751D+14 0.00000000D+00
|
|
# kpt# 27 kpt= 0.500000 0.500000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.17157076D+14 0.28171688D+14 0.15930406D+14 0.11277492D+15 0.16378629D+15 0.00000000D+00
|
|
# kpt# 28 kpt= -0.250000 0.500000 0.250000
|
|
0.00000000D+00 0.18620064D+14 0.40802939D+14 0.47307134D+14 0.50039066D+14 0.48229167D+14 0.99097936D+14 0.00000000D+00
|
|
# kpt# 29 kpt= 0.000000 -0.250000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.15308500D+14 0.97430217D+14 0.87180076D+14 0.16134682D+15 0.78307883D+14 0.00000000D+00
|
|
# kpt# 30 kpt= 0.250000 -0.250000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.15657623D+14 0.63183379D+14 0.96375047D+14 0.23009136D+15 0.85679293D+14 0.00000000D+00
|
|
# kpt# 31 kpt= 0.500000 -0.250000 0.250000
|
|
0.00000000D+00 0.17778974D+14 0.40124467D+14 0.49819035D+14 0.64118311D+14 0.46643855D+14 0.92381380D+14 0.00000000D+00
|
|
# kpt# 32 kpt= -0.250000 -0.250000 0.250000
|
|
0.00000000D+00 0.17312266D+14 0.27841101D+14 0.34965594D+14 0.58406405D+14 0.44056638D+14 0.10740015D+15 0.00000000D+00
|
|
# kpt# 33 kpt= 0.000000 0.000000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.12523026D+14 0.13392738D+14 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
|
|
# kpt# 34 kpt= 0.250000 0.000000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.85970284D+14 0.95345533D+14 0.15138332D+15 0.10709999D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 35 kpt= 0.500000 0.000000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.19940409D+14 0.11820876D+14 0.16483713D+14 0.15776052D+14 0.40209242D+14 0.11729938D+15
|
|
# kpt# 36 kpt= -0.250000 0.000000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.85118408D+14 0.94491498D+14 0.15086303D+15 0.99397132D+14 0.00000000D+00 0.00000000D+00
|
|
# kpt# 37 kpt= 0.000000 0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.10118937D+15 0.11847219D+15 0.19258846D+15 0.12732176D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 38 kpt= 0.250000 0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.29987725D+14 0.33167588D+14 0.55839009D+14 0.55824385D+14 0.00000000D+00 0.00000000D+00
|
|
# kpt# 39 kpt= 0.500000 0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.38708015D+14 0.48882699D+14 0.58259584D+14 0.58244454D+14 0.00000000D+00 0.00000000D+00
|
|
# kpt# 40 kpt= -0.250000 0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.85421761D+14 0.92463771D+14 0.31241680D+15 0.20355943D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 41 kpt= 0.000000 0.500000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.31783353D+14 0.31609129D+14 0.32996047D+14 0.33735596D+14 0.37301152D+14 0.94960339D+14
|
|
# kpt# 42 kpt= 0.250000 0.500000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.42343505D+14 0.47544900D+14 0.79989848D+14 0.79968117D+14 0.00000000D+00 0.00000000D+00
|
|
# kpt# 43 kpt= 0.500000 0.500000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.34687918D+14 0.24992305D+14 0.29302151D+14 0.27715789D+14 0.86067625D+14 0.13056252D+15
|
|
# kpt# 44 kpt= -0.250000 0.500000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.43538414D+14 0.48850948D+14 0.81646304D+14 0.81626803D+14 0.00000000D+00 0.00000000D+00
|
|
# kpt# 45 kpt= 0.000000 -0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.10168172D+15 0.11901555D+15 0.18926279D+15 0.12410892D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 46 kpt= 0.250000 -0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.82989935D+14 0.89906902D+14 0.30455821D+15 0.18909602D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 47 kpt= 0.500000 -0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.40421108D+14 0.50588075D+14 0.59281977D+14 0.59266864D+14 0.00000000D+00 0.00000000D+00
|
|
# kpt# 48 kpt= -0.250000 -0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.31141917D+14 0.34065259D+14 0.58006979D+14 0.57989959D+14 0.00000000D+00 0.00000000D+00
|
|
# kpt# 49 kpt= 0.000000 0.000000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.18159062D+14 0.54058644D+14 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
|
|
# kpt# 50 kpt= 0.250000 0.000000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.20777018D+14 0.76016385D+14 0.61718922D+14 0.15210596D+15 0.99797569D+14 0.00000000D+00
|
|
# kpt# 51 kpt= 0.500000 0.000000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.70204231D+13 0.10530181D+14 0.77733381D+13 0.68420459D+14 0.10329370D+15 0.00000000D+00
|
|
# kpt# 52 kpt= -0.250000 0.000000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.21655883D+14 0.75253177D+14 0.62673106D+14 0.15551974D+15 0.10976554D+15 0.00000000D+00
|
|
# kpt# 53 kpt= 0.000000 0.250000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.15142431D+14 0.97909084D+14 0.85483855D+14 0.15761391D+15 0.79012788D+14 0.00000000D+00
|
|
# kpt# 54 kpt= 0.250000 0.250000 -0.250000
|
|
0.00000000D+00 0.18560492D+14 0.27566545D+14 0.33633703D+14 0.59965023D+14 0.43818910D+14 0.10791504D+15 0.00000000D+00
|
|
# kpt# 55 kpt= 0.500000 0.250000 -0.250000
|
|
0.00000000D+00 0.18457112D+14 0.39288869D+14 0.49391936D+14 0.64727408D+14 0.46069059D+14 0.93794853D+14 0.00000000D+00
|
|
# kpt# 56 kpt= -0.250000 0.250000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.13851138D+14 0.62601254D+14 0.95471116D+14 0.22910721D+15 0.85360309D+14 0.00000000D+00
|
|
# kpt# 57 kpt= 0.000000 0.500000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.17704259D+14 0.27261986D+14 0.13724409D+14 0.67762405D+14 0.87232798D+14 0.00000000D+00
|
|
# kpt# 58 kpt= 0.250000 0.500000 -0.250000
|
|
0.00000000D+00 0.17818148D+14 0.39766594D+14 0.46756582D+14 0.49711982D+14 0.47924325D+14 0.96599973D+14 0.00000000D+00
|
|
# kpt# 59 kpt= 0.500000 0.500000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.17058126D+14 0.28188189D+14 0.15929488D+14 0.11274382D+15 0.16138849D+15 0.00000000D+00
|
|
# kpt# 60 kpt= -0.250000 0.500000 -0.250000
|
|
0.00000000D+00 0.18564915D+14 0.40065026D+14 0.47201444D+14 0.49028242D+14 0.44611533D+14 0.99147812D+14 0.00000000D+00
|
|
# kpt# 61 kpt= 0.000000 -0.250000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.15310128D+14 0.96948797D+14 0.87263350D+14 0.16593542D+15 0.83310331D+14 0.00000000D+00
|
|
# kpt# 62 kpt= 0.250000 -0.250000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.15695221D+14 0.65313582D+14 0.98195051D+14 0.22519512D+15 0.77683594D+14 0.00000000D+00
|
|
# kpt# 63 kpt= 0.500000 -0.250000 -0.250000
|
|
0.00000000D+00 0.17855165D+14 0.39741208D+14 0.50464200D+14 0.65286438D+14 0.52019904D+14 0.93023955D+14 0.00000000D+00
|
|
# kpt# 64 kpt= -0.250000 -0.250000 -0.250000
|
|
0.00000000D+00 0.17511501D+14 0.27911592D+14 0.34611809D+14 0.56436975D+14 0.38653239D+14 0.10564942D+15 0.00000000D+00
|
|
|
|
|
|
|
|
# Temperature = 500.00000000
|
|
# For isppol = 1
|
|
# kpt# 1 kpt= 0.000000 0.000000 0.000000
|
|
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
|
|
# kpt# 2 kpt= 0.250000 0.000000 0.000000
|
|
0.00000000D+00 0.23290069D+14 0.24562848D+14 0.48080777D+14 0.67770628D+14 0.12074126D+15 0.22169875D+15 0.00000000D+00
|
|
# kpt# 3 kpt= 0.500000 0.000000 0.000000
|
|
0.00000000D+00 0.00000000D+00 0.92628842D+13 0.69366565D+13 0.40571817D+13 0.70982926D+14 0.14531781D+15 0.00000000D+00
|
|
# kpt# 4 kpt= -0.250000 0.000000 0.000000
|
|
0.00000000D+00 0.23242071D+14 0.25505234D+14 0.48189110D+14 0.63537551D+14 0.11294655D+15 0.22679164D+15 0.00000000D+00
|
|
# kpt# 5 kpt= 0.000000 0.250000 0.000000
|
|
0.00000000D+00 0.26858769D+14 0.22166709D+14 0.53797907D+14 0.48712976D+14 0.11483806D+15 0.20325714D+15 0.00000000D+00
|
|
# kpt# 6 kpt= 0.250000 0.250000 0.000000
|
|
0.00000000D+00 0.35503570D+14 0.41205036D+14 0.13902594D+14 0.20137693D+15 0.74455783D+14 0.90915541D+14 0.18187426D+15
|
|
# kpt# 7 kpt= 0.500000 0.250000 0.000000
|
|
0.00000000D+00 0.42786279D+14 0.43512986D+14 0.16488313D+14 0.29791191D+15 0.73590272D+14 0.84191118D+14 0.28439882D+15
|
|
# kpt# 8 kpt= -0.250000 0.250000 0.000000
|
|
0.00000000D+00 0.26254568D+14 0.22497791D+14 0.43956797D+14 0.47153140D+14 0.95059098D+14 0.27320864D+15 0.00000000D+00
|
|
# kpt# 9 kpt= 0.000000 0.500000 0.000000
|
|
0.00000000D+00 0.00000000D+00 0.10493308D+14 0.12445147D+14 0.89987647D+13 0.11033869D+15 0.11903188D+15 0.00000000D+00
|
|
# kpt# 10 kpt= 0.250000 0.500000 0.000000
|
|
0.00000000D+00 0.56310036D+14 0.67533588D+14 0.18610589D+14 0.35239350D+15 0.67385998D+14 0.84012805D+14 0.30456696D+15
|
|
# kpt# 11 kpt= 0.500000 0.500000 0.000000
|
|
0.00000000D+00 0.00000000D+00 0.11747935D+14 0.13369493D+14 0.94447127D+13 0.10278727D+15 0.22754693D+15 0.00000000D+00
|
|
# kpt# 12 kpt= -0.250000 0.500000 0.000000
|
|
0.00000000D+00 0.56659620D+14 0.68548325D+14 0.18601357D+14 0.35978962D+15 0.67979308D+14 0.86510238D+14 0.30710582D+15
|
|
# kpt# 13 kpt= 0.000000 -0.250000 0.000000
|
|
0.00000000D+00 0.26889878D+14 0.21304284D+14 0.54264361D+14 0.49437026D+14 0.11397570D+15 0.20829583D+15 0.00000000D+00
|
|
# kpt# 14 kpt= 0.250000 -0.250000 0.000000
|
|
0.00000000D+00 0.26203205D+14 0.24060275D+14 0.45230697D+14 0.42388759D+14 0.88476313D+14 0.28462546D+15 0.00000000D+00
|
|
# kpt# 15 kpt= 0.500000 -0.250000 0.000000
|
|
0.00000000D+00 0.42571483D+14 0.44366332D+14 0.17210410D+14 0.29689803D+15 0.76666491D+14 0.85206180D+14 0.27967629D+15
|
|
# kpt# 16 kpt= -0.250000 -0.250000 0.000000
|
|
0.00000000D+00 0.37392746D+14 0.42032336D+14 0.14154613D+14 0.20157023D+15 0.75349197D+14 0.90642865D+14 0.18028248D+15
|
|
# kpt# 17 kpt= 0.000000 0.000000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.21948260D+14 0.61359327D+14 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
|
|
# kpt# 18 kpt= 0.250000 0.000000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.25280392D+14 0.90271489D+14 0.73260539D+14 0.18934469D+15 0.13579075D+15 0.00000000D+00
|
|
# kpt# 19 kpt= 0.500000 0.000000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.83552045D+13 0.12833464D+14 0.93684126D+13 0.82967342D+14 0.12363551D+15 0.00000000D+00
|
|
# kpt# 20 kpt= -0.250000 0.000000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.26182345D+14 0.94118961D+14 0.79603125D+14 0.18459807D+15 0.12114409D+15 0.00000000D+00
|
|
# kpt# 21 kpt= 0.000000 0.250000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.18464704D+14 0.11842431D+15 0.10501983D+15 0.19851066D+15 0.10140230D+15 0.00000000D+00
|
|
# kpt# 22 kpt= 0.250000 0.250000 0.250000
|
|
0.00000000D+00 0.22819757D+14 0.32897261D+14 0.40552883D+14 0.74462292D+14 0.46383032D+14 0.12742345D+15 0.00000000D+00
|
|
# kpt# 23 kpt= 0.500000 0.250000 0.250000
|
|
0.00000000D+00 0.22606932D+14 0.47699717D+14 0.61507970D+14 0.84660686D+14 0.62318405D+14 0.11388849D+15 0.00000000D+00
|
|
# kpt# 24 kpt= -0.250000 0.250000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.17120177D+14 0.77906670D+14 0.11747389D+15 0.27777867D+15 0.91544750D+14 0.00000000D+00
|
|
# kpt# 25 kpt= 0.000000 0.500000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.21302507D+14 0.33212010D+14 0.16397396D+14 0.82413417D+14 0.10654902D+15 0.00000000D+00
|
|
# kpt# 26 kpt= 0.250000 0.500000 0.250000
|
|
0.00000000D+00 0.21832134D+14 0.48425548D+14 0.57554561D+14 0.63336547D+14 0.53185231D+14 0.11737289D+15 0.00000000D+00
|
|
# kpt# 27 kpt= 0.500000 0.500000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.20674786D+14 0.34434856D+14 0.19046768D+14 0.13765285D+15 0.19942961D+15 0.00000000D+00
|
|
# kpt# 28 kpt= -0.250000 0.500000 0.250000
|
|
0.00000000D+00 0.22668883D+14 0.49486337D+14 0.57682755D+14 0.64803170D+14 0.58079984D+14 0.11930228D+15 0.00000000D+00
|
|
# kpt# 29 kpt= 0.000000 -0.250000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.18622999D+14 0.11866889D+15 0.10632427D+15 0.19659351D+15 0.94959835D+14 0.00000000D+00
|
|
# kpt# 30 kpt= 0.250000 -0.250000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.18903399D+14 0.76660083D+14 0.11764857D+15 0.28194256D+15 0.10380755D+15 0.00000000D+00
|
|
# kpt# 31 kpt= 0.500000 -0.250000 0.250000
|
|
0.00000000D+00 0.21841712D+14 0.49129090D+14 0.61068532D+14 0.82672506D+14 0.56185827D+14 0.11163280D+15 0.00000000D+00
|
|
# kpt# 32 kpt= -0.250000 -0.250000 0.250000
|
|
0.00000000D+00 0.21319341D+14 0.34080469D+14 0.42744982D+14 0.75622512D+14 0.53364392D+14 0.12975857D+15 0.00000000D+00
|
|
# kpt# 33 kpt= 0.000000 0.000000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.14905715D+14 0.15942925D+14 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
|
|
# kpt# 34 kpt= 0.250000 0.000000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.10314416D+15 0.11488486D+15 0.18304462D+15 0.12845282D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 35 kpt= 0.500000 0.000000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.24120177D+14 0.14228230D+14 0.19745233D+14 0.18888925D+14 0.48100087D+14 0.14239573D+15
|
|
# kpt# 36 kpt= -0.250000 0.000000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.10227456D+15 0.11404054D+15 0.18260664D+15 0.12075484D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 37 kpt= 0.000000 0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.12258711D+15 0.14434804D+15 0.23342080D+15 0.15411243D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 38 kpt= 0.250000 0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.36816162D+14 0.40737962D+14 0.68225301D+14 0.68207405D+14 0.00000000D+00 0.00000000D+00
|
|
# kpt# 39 kpt= 0.500000 0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.47479620D+14 0.60218916D+14 0.71003338D+14 0.70985029D+14 0.00000000D+00 0.00000000D+00
|
|
# kpt# 40 kpt= -0.250000 0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.10314262D+15 0.11227329D+15 0.37888245D+15 0.24523893D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 41 kpt= 0.000000 0.500000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.38322606D+14 0.37958435D+14 0.39513721D+14 0.40421997D+14 0.44907178D+14 0.11452744D+15
|
|
# kpt# 42 kpt= 0.250000 0.500000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.51409104D+14 0.57949182D+14 0.96843103D+14 0.96817084D+14 0.00000000D+00 0.00000000D+00
|
|
# kpt# 43 kpt= 0.500000 0.500000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.41831617D+14 0.30151879D+14 0.34949963D+14 0.33070884D+14 0.10324332D+15 0.15704847D+15
|
|
# kpt# 44 kpt= -0.250000 0.500000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.52601250D+14 0.59218868D+14 0.98495709D+14 0.98472174D+14 0.00000000D+00 0.00000000D+00
|
|
# kpt# 45 kpt= 0.000000 -0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.12317547D+15 0.14498880D+15 0.23024959D+15 0.15105169D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 46 kpt= 0.250000 -0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.10070008D+15 0.10972016D+15 0.37118449D+15 0.23090351D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 47 kpt= 0.500000 -0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.49151216D+14 0.61885376D+14 0.72023450D+14 0.72005162D+14 0.00000000D+00 0.00000000D+00
|
|
# kpt# 48 kpt= -0.250000 -0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.37893504D+14 0.41623864D+14 0.70388043D+14 0.70367468D+14 0.00000000D+00 0.00000000D+00
|
|
# kpt# 49 kpt= 0.000000 0.000000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.21951367D+14 0.61559284D+14 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
|
|
# kpt# 50 kpt= 0.250000 0.000000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.25277328D+14 0.92722269D+14 0.75966338D+14 0.18579447D+15 0.12086249D+15 0.00000000D+00
|
|
# kpt# 51 kpt= 0.500000 0.000000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.84862389D+13 0.12928656D+14 0.93925104D+13 0.83028920D+14 0.12636921D+15 0.00000000D+00
|
|
# kpt# 52 kpt= -0.250000 0.000000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.26182188D+14 0.91457717D+14 0.76298586D+14 0.19003460D+15 0.13357947D+15 0.00000000D+00
|
|
# kpt# 53 kpt= 0.000000 0.250000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.18458099D+14 0.11913514D+15 0.10463072D+15 0.19300266D+15 0.95649184D+14 0.00000000D+00
|
|
# kpt# 54 kpt= 0.250000 0.250000 -0.250000
|
|
0.00000000D+00 0.22628399D+14 0.33779719D+14 0.41420248D+14 0.77017061D+14 0.53102761D+14 0.13032061D+15 0.00000000D+00
|
|
# kpt# 55 kpt= 0.500000 0.250000 -0.250000
|
|
0.00000000D+00 0.22535216D+14 0.48244740D+14 0.60645195D+14 0.83202799D+14 0.55601727D+14 0.11307438D+15 0.00000000D+00
|
|
# kpt# 56 kpt= -0.250000 0.250000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.17087645D+14 0.75838649D+14 0.11651661D+15 0.28148390D+15 0.10366376D+15 0.00000000D+00
|
|
# kpt# 57 kpt= 0.000000 0.500000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.21293661D+14 0.33234779D+14 0.16397405D+14 0.82406351D+14 0.10654304D+15 0.00000000D+00
|
|
# kpt# 58 kpt= 0.250000 0.500000 -0.250000
|
|
0.00000000D+00 0.21831899D+14 0.48444640D+14 0.57137657D+14 0.64513421D+14 0.57756384D+14 0.11672757D+15 0.00000000D+00
|
|
# kpt# 59 kpt= 0.500000 0.500000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.20572135D+14 0.34448541D+14 0.19045688D+14 0.13762642D+15 0.19681754D+15 0.00000000D+00
|
|
# kpt# 60 kpt= -0.250000 0.500000 -0.250000
|
|
0.00000000D+00 0.22613201D+14 0.48652619D+14 0.57621558D+14 0.63600324D+14 0.53557831D+14 0.11942500D+15 0.00000000D+00
|
|
# kpt# 61 kpt= 0.000000 -0.250000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.18626500D+14 0.11808421D+15 0.10645506D+15 0.20230070D+15 0.10116521D+15 0.00000000D+00
|
|
# kpt# 62 kpt= 0.250000 -0.250000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.18950360D+14 0.79155035D+14 0.11962041D+15 0.27629299D+15 0.93666734D+14 0.00000000D+00
|
|
# kpt# 63 kpt= 0.500000 -0.250000 -0.250000
|
|
0.00000000D+00 0.21932220D+14 0.48647220D+14 0.61881929D+14 0.84115608D+14 0.62900583D+14 0.11243831D+15 0.00000000D+00
|
|
# kpt# 64 kpt= -0.250000 -0.250000 -0.250000
|
|
0.00000000D+00 0.21557002D+14 0.34072905D+14 0.42245703D+14 0.73094409D+14 0.46618820D+14 0.12750872D+15 0.00000000D+00
|
|
|
|
|
|
|
|
# Temperature = 600.00000000
|
|
# For isppol = 1
|
|
# kpt# 1 kpt= 0.000000 0.000000 0.000000
|
|
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
|
|
# kpt# 2 kpt= 0.250000 0.000000 0.000000
|
|
0.00000000D+00 0.27407419D+14 0.29025252D+14 0.56404730D+14 0.79410083D+14 0.14200828D+15 0.26240252D+15 0.00000000D+00
|
|
# kpt# 3 kpt= 0.500000 0.000000 0.000000
|
|
0.00000000D+00 0.00000000D+00 0.10819292D+14 0.82870494D+13 0.48072481D+13 0.86139798D+14 0.17254673D+15 0.00000000D+00
|
|
# kpt# 4 kpt= -0.250000 0.000000 0.000000
|
|
0.00000000D+00 0.27300953D+14 0.29963295D+14 0.56480300D+14 0.75163749D+14 0.13427873D+15 0.26800650D+15 0.00000000D+00
|
|
# kpt# 5 kpt= 0.000000 0.250000 0.000000
|
|
0.00000000D+00 0.31607534D+14 0.26141514D+14 0.63071741D+14 0.57533592D+14 0.13579555D+15 0.24122869D+15 0.00000000D+00
|
|
# kpt# 6 kpt= 0.250000 0.250000 0.000000
|
|
0.00000000D+00 0.41964306D+14 0.48898889D+14 0.16574550D+14 0.23828037D+15 0.88473478D+14 0.10750350D+15 0.21475243D+15
|
|
# kpt# 7 kpt= 0.500000 0.250000 0.000000
|
|
0.00000000D+00 0.50383828D+14 0.51599497D+14 0.19668235D+14 0.35281977D+15 0.87594966D+14 0.99559677D+14 0.33573194D+15
|
|
# kpt# 8 kpt= -0.250000 0.250000 0.000000
|
|
0.00000000D+00 0.30953810D+14 0.26771879D+14 0.51703742D+14 0.55297625D+14 0.11199855D+15 0.32431581D+15 0.00000000D+00
|
|
# kpt# 9 kpt= 0.000000 0.500000 0.000000
|
|
0.00000000D+00 0.00000000D+00 0.12296663D+14 0.14649179D+14 0.10593082D+14 0.13432739D+15 0.14145188D+15 0.00000000D+00
|
|
# kpt# 10 kpt= 0.250000 0.500000 0.000000
|
|
0.00000000D+00 0.66251938D+14 0.79969828D+14 0.22053725D+14 0.41768605D+15 0.79620712D+14 0.99105973D+14 0.35986489D+15
|
|
# kpt# 11 kpt= 0.500000 0.500000 0.000000
|
|
0.00000000D+00 0.00000000D+00 0.13723238D+14 0.15749949D+14 0.11130580D+14 0.12500443D+15 0.27018367D+15 0.00000000D+00
|
|
# kpt# 12 kpt= -0.250000 0.500000 0.000000
|
|
0.00000000D+00 0.66623854D+14 0.81014507D+14 0.22058037D+14 0.42499874D+15 0.80199210D+14 0.10160185D+15 0.36236081D+15
|
|
# kpt# 13 kpt= 0.000000 -0.250000 0.000000
|
|
0.00000000D+00 0.31647971D+14 0.25280174D+14 0.63525390D+14 0.58259923D+14 0.13490372D+15 0.24668483D+15 0.00000000D+00
|
|
# kpt# 14 kpt= 0.250000 -0.250000 0.000000
|
|
0.00000000D+00 0.30806852D+14 0.28329667D+14 0.52908471D+14 0.50518490D+14 0.10549630D+15 0.33648549D+15 0.00000000D+00
|
|
# kpt# 15 kpt= 0.500000 -0.250000 0.000000
|
|
0.00000000D+00 0.50193204D+14 0.52524168D+14 0.20388054D+14 0.35182704D+15 0.90579633D+14 0.10066213D+15 0.33093646D+15
|
|
# kpt# 16 kpt= -0.250000 -0.250000 0.000000
|
|
0.00000000D+00 0.43894412D+14 0.49739850D+14 0.16803061D+14 0.23847474D+15 0.89305356D+14 0.10744252D+15 0.21333618D+15
|
|
# kpt# 17 kpt= 0.000000 0.000000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.25853513D+14 0.69038254D+14 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
|
|
# kpt# 18 kpt= 0.250000 0.000000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.29891519D+14 0.10715410D+15 0.87038225D+14 0.22470656D+15 0.16012409D+15 0.00000000D+00
|
|
# kpt# 19 kpt= 0.500000 0.000000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.98470442D+13 0.15275803D+14 0.11035201D+14 0.97993166D+14 0.14695600D+15 0.00000000D+00
|
|
# kpt# 20 kpt= -0.250000 0.000000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.30819276D+14 0.11151269D+15 0.93960552D+14 0.21898421D+15 0.14278111D+15 0.00000000D+00
|
|
# kpt# 21 kpt= 0.000000 0.250000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.21851332D+14 0.14037576D+15 0.12462411D+15 0.23567392D+15 0.11955764D+15 0.00000000D+00
|
|
# kpt# 22 kpt= 0.250000 0.250000 0.250000
|
|
0.00000000D+00 0.27024963D+14 0.39104677D+14 0.48325195D+14 0.90817814D+14 0.54510983D+14 0.14980418D+15 0.00000000D+00
|
|
# kpt# 23 kpt= 0.500000 0.250000 0.250000
|
|
0.00000000D+00 0.26792199D+14 0.56670175D+14 0.73089913D+14 0.10317818D+15 0.73419920D+14 0.13377921D+15 0.00000000D+00
|
|
# kpt# 24 kpt= -0.250000 0.250000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.20429156D+14 0.92301776D+14 0.13941157D+15 0.32985037D+15 0.10793673D+15 0.00000000D+00
|
|
# kpt# 25 kpt= 0.000000 0.500000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.24978959D+14 0.39318099D+14 0.19148508D+14 0.97460316D+14 0.12626954D+15 0.00000000D+00
|
|
# kpt# 26 kpt= 0.250000 0.500000 0.250000
|
|
0.00000000D+00 0.25932727D+14 0.57210045D+14 0.68160589D+14 0.77676114D+14 0.62366362D+14 0.13807189D+15 0.00000000D+00
|
|
# kpt# 27 kpt= 0.500000 0.500000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.24272174D+14 0.40828793D+14 0.22253395D+14 0.16322378D+15 0.23591642D+15 0.00000000D+00
|
|
# kpt# 28 kpt= -0.250000 0.500000 0.250000
|
|
0.00000000D+00 0.26815853D+14 0.58349826D+14 0.68256549D+14 0.79361012D+14 0.68189978D+14 0.13999484D+15 0.00000000D+00
|
|
# kpt# 29 kpt= 0.000000 -0.250000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.22008390D+14 0.14077297D+15 0.12586824D+15 0.23248792D+15 0.11195506D+15 0.00000000D+00
|
|
# kpt# 30 kpt= 0.250000 -0.250000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.22215591D+14 0.90769271D+14 0.13938343D+15 0.33459781D+15 0.12230514D+15 0.00000000D+00
|
|
# kpt# 31 kpt= 0.500000 -0.250000 0.250000
|
|
0.00000000D+00 0.25993294D+14 0.58254468D+14 0.72480180D+14 0.10101281D+15 0.65955699D+14 0.13133210D+15 0.00000000D+00
|
|
# kpt# 32 kpt= -0.250000 -0.250000 0.250000
|
|
0.00000000D+00 0.25415148D+14 0.40414108D+14 0.50637625D+14 0.92655250D+14 0.62859675D+14 0.15261171D+15 0.00000000D+00
|
|
# kpt# 33 kpt= 0.000000 0.000000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.17365545D+14 0.18575122D+14 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
|
|
# kpt# 34 kpt= 0.250000 0.000000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.12075785D+15 0.13488902D+15 0.21550176D+15 0.15035665D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 35 kpt= 0.500000 0.000000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.28372953D+14 0.16687397D+14 0.23108100D+14 0.22101783D+14 0.56191887D+14 0.16801145D+15
|
|
# kpt# 36 kpt= -0.250000 0.000000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.11987119D+15 0.13405602D+15 0.21514840D+15 0.14266416D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 37 kpt= 0.000000 0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.14440378D+15 0.17067201D+15 0.27516057D+15 0.18147201D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 38 kpt= 0.250000 0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.43781449D+14 0.48446950D+14 0.80873203D+14 0.80852015D+14 0.00000000D+00 0.00000000D+00
|
|
# kpt# 39 kpt= 0.500000 0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.56431254D+14 0.71745421D+14 0.84023897D+14 0.84002381D+14 0.00000000D+00 0.00000000D+00
|
|
# kpt# 40 kpt= -0.250000 0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.12122379D+15 0.13245269D+15 0.44682879D+15 0.28790859D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 41 kpt= 0.000000 0.500000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.44997078D+14 0.44456497D+14 0.46247757D+14 0.47329810D+14 0.52724409D+14 0.13461035D+15
|
|
# kpt# 42 kpt= 0.250000 0.500000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.60725087D+14 0.68621018D+14 0.11416587D+15 0.11413551D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 43 kpt= 0.500000 0.500000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.49118339D+14 0.35418545D+14 0.40796681D+14 0.38621779D+14 0.12097435D+15 0.18433013D+15
|
|
# kpt# 44 kpt= -0.250000 0.500000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.61914391D+14 0.69853202D+14 0.11581448D+15 0.11578687D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 45 kpt= 0.000000 -0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.14509038D+15 0.17141232D+15 0.27214671D+15 0.17856629D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 46 kpt= 0.250000 -0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.11877353D+15 0.12990747D+15 0.43929507D+15 0.27370400D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 47 kpt= 0.500000 -0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.58060537D+14 0.73372109D+14 0.85041616D+14 0.85020124D+14 0.00000000D+00 0.00000000D+00
|
|
# kpt# 48 kpt= -0.250000 -0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.44780100D+14 0.49321045D+14 0.83030575D+14 0.83006415D+14 0.00000000D+00 0.00000000D+00
|
|
# kpt# 49 kpt= 0.000000 0.000000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.25856840D+14 0.69273747D+14 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
|
|
# kpt# 50 kpt= 0.250000 0.000000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.29889709D+14 0.11019485D+15 0.90518333D+14 0.22012746D+15 0.14239171D+15 0.00000000D+00
|
|
# kpt# 51 kpt= 0.500000 0.000000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.99799417D+13 0.15372587D+14 0.11057166D+14 0.98044565D+14 0.14987016D+15 0.00000000D+00
|
|
# kpt# 52 kpt= -0.250000 0.000000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.30821183D+14 0.10844343D+15 0.90227295D+14 0.22519316D+15 0.15785818D+15 0.00000000D+00
|
|
# kpt# 53 kpt= 0.000000 0.250000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.21844666D+14 0.14123261D+15 0.12417888D+15 0.22903942D+15 0.11262817D+15 0.00000000D+00
|
|
# kpt# 54 kpt= 0.250000 0.250000 -0.250000
|
|
0.00000000D+00 0.26786638D+14 0.40086416D+14 0.49320104D+14 0.93825392D+14 0.62573241D+14 0.15322142D+15 0.00000000D+00
|
|
# kpt# 55 kpt= 0.500000 0.250000 -0.250000
|
|
0.00000000D+00 0.26702500D+14 0.57320582D+14 0.72060597D+14 0.10144204D+15 0.65362416D+14 0.13280241D+15 0.00000000D+00
|
|
# kpt# 56 kpt= -0.250000 0.250000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.20390115D+14 0.89697744D+14 0.13802167D+15 0.33467128D+15 0.12234138D+15 0.00000000D+00
|
|
# kpt# 57 kpt= 0.000000 0.500000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.24968873D+14 0.39339898D+14 0.19148522D+14 0.97453396D+14 0.12626321D+15 0.00000000D+00
|
|
# kpt# 58 kpt= 0.250000 0.500000 -0.250000
|
|
0.00000000D+00 0.25943017D+14 0.57303071D+14 0.67716967D+14 0.79129559D+14 0.67847238D+14 0.13734116D+15 0.00000000D+00
|
|
# kpt# 59 kpt= 0.500000 0.500000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.24165877D+14 0.40839706D+14 0.22252156D+14 0.16320195D+15 0.23309145D+15 0.00000000D+00
|
|
# kpt# 60 kpt= -0.250000 0.500000 -0.250000
|
|
0.00000000D+00 0.26759579D+14 0.57420165D+14 0.68239871D+14 0.77965461D+14 0.62762029D+14 0.14018942D+15 0.00000000D+00
|
|
# kpt# 61 kpt= 0.000000 -0.250000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.22013739D+14 0.14008470D+15 0.12604641D+15 0.23931461D+15 0.11936543D+15 0.00000000D+00
|
|
# kpt# 62 kpt= 0.250000 -0.250000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.22271906D+14 0.93626464D+14 0.14150815D+15 0.32819231D+15 0.11001498D+15 0.00000000D+00
|
|
# kpt# 63 kpt= 0.500000 -0.250000 -0.250000
|
|
0.00000000D+00 0.26098210D+14 0.57673606D+14 0.73462056D+14 0.10273345D+15 0.74011058D+14 0.13230027D+15 0.00000000D+00
|
|
# kpt# 64 kpt= -0.250000 -0.250000 -0.250000
|
|
0.00000000D+00 0.25691423D+14 0.40328319D+14 0.49992637D+14 0.89570735D+14 0.54769621D+14 0.14986060D+15 0.00000000D+00
|
|
|
|
|
|
|
|
# Temperature = 700.00000000
|
|
# For isppol = 1
|
|
# kpt# 1 kpt= 0.000000 0.000000 0.000000
|
|
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
|
|
# kpt# 2 kpt= 0.250000 0.000000 0.000000
|
|
0.00000000D+00 0.31584624D+14 0.33556458D+14 0.64837968D+14 0.91229520D+14 0.16356979D+15 0.30348589D+15 0.00000000D+00
|
|
# kpt# 3 kpt= 0.500000 0.000000 0.000000
|
|
0.00000000D+00 0.00000000D+00 0.12395011D+14 0.96517849D+13 0.55656701D+13 0.10135393D+15 0.20013356D+15 0.00000000D+00
|
|
# kpt# 4 kpt= -0.250000 0.000000 0.000000
|
|
0.00000000D+00 0.31418634D+14 0.34490077D+14 0.64879611D+14 0.86969636D+14 0.15590625D+15 0.30960935D+15 0.00000000D+00
|
|
# kpt# 5 kpt= 0.000000 0.250000 0.000000
|
|
0.00000000D+00 0.36413794D+14 0.30163690D+14 0.72453938D+14 0.66473979D+14 0.15703712D+15 0.27947255D+15 0.00000000D+00
|
|
# kpt# 6 kpt= 0.250000 0.250000 0.000000
|
|
0.00000000D+00 0.48505624D+14 0.56677372D+14 0.19267019D+14 0.27554923D+15 0.10266230D+15 0.12429926D+15 0.24806816D+15
|
|
# kpt# 7 kpt= 0.500000 0.250000 0.000000
|
|
0.00000000D+00 0.58071653D+14 0.59773378D+14 0.22873517D+14 0.40822612D+15 0.10177401D+15 0.11512111D+15 0.38773380D+15
|
|
# kpt# 8 kpt= -0.250000 0.250000 0.000000
|
|
0.00000000D+00 0.35709817D+14 0.31094887D+14 0.59538424D+14 0.63541237D+14 0.12915297D+15 0.37576808D+15 0.00000000D+00
|
|
# kpt# 9 kpt= 0.000000 0.500000 0.000000
|
|
0.00000000D+00 0.00000000D+00 0.14126614D+14 0.16887305D+14 0.12216414D+14 0.15841374D+15 0.16416293D+15 0.00000000D+00
|
|
# kpt# 10 kpt= 0.250000 0.500000 0.000000
|
|
0.00000000D+00 0.76323652D+14 0.92550611D+14 0.25534195D+14 0.48362531D+15 0.92052869D+14 0.11442949D+15 0.41586399D+15
|
|
# kpt# 11 kpt= 0.500000 0.500000 0.000000
|
|
0.00000000D+00 0.00000000D+00 0.15731950D+14 0.18169898D+14 0.12845122D+14 0.14730735D+15 0.31342088D+15 0.00000000D+00
|
|
# kpt# 12 kpt= -0.250000 0.500000 0.000000
|
|
0.00000000D+00 0.76718449D+14 0.93625867D+14 0.25552270D+14 0.49082383D+15 0.92616343D+14 0.11692385D+15 0.41831734D+15
|
|
# kpt# 13 kpt= 0.000000 -0.250000 0.000000
|
|
0.00000000D+00 0.36463720D+14 0.29303457D+14 0.72894963D+14 0.67202626D+14 0.15611537D+15 0.28534887D+15 0.00000000D+00
|
|
# kpt# 14 kpt= 0.250000 -0.250000 0.000000
|
|
0.00000000D+00 0.35466051D+14 0.32647906D+14 0.60671293D+14 0.58747124D+14 0.12273179D+15 0.38870064D+15 0.00000000D+00
|
|
# kpt# 15 kpt= 0.500000 -0.250000 0.000000
|
|
0.00000000D+00 0.57905302D+14 0.60770476D+14 0.23591031D+14 0.40726385D+15 0.10466633D+15 0.11631230D+15 0.38286400D+15
|
|
# kpt# 16 kpt= -0.250000 -0.250000 0.000000
|
|
0.00000000D+00 0.50477233D+14 0.57532005D+14 0.19471656D+14 0.27574398D+15 0.10343153D+15 0.12445289D+15 0.24682851D+15
|
|
# kpt# 17 kpt= 0.000000 0.000000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.29825926D+14 0.76844155D+14 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
|
|
# kpt# 18 kpt= 0.250000 0.000000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.34569171D+14 0.12453701D+15 0.10099660D+15 0.26045116D+15 0.18473554D+15 0.00000000D+00
|
|
# kpt# 19 kpt= 0.500000 0.000000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.11355298D+14 0.17745091D+14 0.12729141D+14 0.11326030D+15 0.17052771D+15 0.00000000D+00
|
|
# kpt# 20 kpt= -0.250000 0.000000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.35523115D+14 0.12941889D+15 0.10849850D+15 0.25375195D+15 0.16469038D+15 0.00000000D+00
|
|
# kpt# 21 kpt= 0.000000 0.250000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.25279905D+14 0.16290418D+15 0.14446574D+15 0.27322110D+15 0.13791712D+15 0.00000000D+00
|
|
# kpt# 22 kpt= 0.250000 0.250000 0.250000
|
|
0.00000000D+00 0.31283637D+14 0.45367436D+14 0.56164203D+14 0.10705590D+15 0.62747159D+14 0.17247754D+15 0.00000000D+00
|
|
# kpt# 23 kpt= 0.500000 0.250000 0.250000
|
|
0.00000000D+00 0.31030143D+14 0.65711418D+14 0.84767535D+14 0.12157946D+15 0.84655790D+14 0.15393552D+15 0.00000000D+00
|
|
# kpt# 24 kpt= -0.250000 0.250000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.23777128D+14 0.10710533D+15 0.16162203D+15 0.38240226D+15 0.12454842D+15 0.00000000D+00
|
|
# kpt# 25 kpt= 0.000000 0.500000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.28706335D+14 0.45502727D+14 0.21946296D+14 0.11274611D+15 0.14623297D+15 0.00000000D+00
|
|
# kpt# 26 kpt= 0.250000 0.500000 0.250000
|
|
0.00000000D+00 0.30091093D+14 0.66101643D+14 0.78884341D+14 0.91915120D+14 0.71699352D+14 0.15905828D+15 0.00000000D+00
|
|
# kpt# 27 kpt= 0.500000 0.500000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.27916877D+14 0.47300423D+14 0.25513946D+14 0.18920488D+15 0.27290361D+15 0.00000000D+00
|
|
# kpt# 28 kpt= -0.250000 0.500000 0.250000
|
|
0.00000000D+00 0.31021010D+14 0.67320348D+14 0.78947987D+14 0.93812220D+14 0.78452502D+14 0.16097661D+15 0.00000000D+00
|
|
# kpt# 29 kpt= 0.000000 -0.250000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.25435716D+14 0.16344884D+15 0.14564878D+15 0.26876587D+15 0.12915368D+15 0.00000000D+00
|
|
# kpt# 30 kpt= 0.250000 -0.250000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.25567028D+14 0.10529307D+15 0.16139194D+15 0.38772922D+15 0.14102108D+15 0.00000000D+00
|
|
# kpt# 31 kpt= 0.500000 -0.250000 0.250000
|
|
0.00000000D+00 0.30197350D+14 0.67451194D+14 0.83987404D+14 0.11923596D+15 0.75859061D+14 0.15129673D+15 0.00000000D+00
|
|
# kpt# 32 kpt= -0.250000 -0.250000 0.250000
|
|
0.00000000D+00 0.29563458D+14 0.46803554D+14 0.58597052D+14 0.10957906D+15 0.72464608D+14 0.17575800D+15 0.00000000D+00
|
|
# kpt# 33 kpt= 0.000000 0.000000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.19872094D+14 0.21256875D+14 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
|
|
# kpt# 34 kpt= 0.250000 0.000000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.13860844D+15 0.15514467D+15 0.24843161D+15 0.17258859D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 35 kpt= 0.500000 0.000000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.32669120D+14 0.19177240D+14 0.26532738D+14 0.25375696D+14 0.64404391D+14 0.19393546D+15
|
|
# kpt# 36 kpt= -0.250000 0.000000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.13770627D+15 0.15432523D+15 0.24816422D+15 0.16490196D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 37 kpt= 0.000000 0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.16644598D+15 0.19723909D+15 0.31743906D+15 0.20916931D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 38 kpt= 0.250000 0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.50828110D+14 0.56238279D+14 0.93675547D+14 0.93651056D+14 0.00000000D+00 0.00000000D+00
|
|
# kpt# 39 kpt= 0.500000 0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.65489666D+14 0.83384583D+14 0.97207685D+14 0.97182947D+14 0.00000000D+00 0.00000000D+00
|
|
# kpt# 40 kpt= -0.250000 0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.13949822D+15 0.15283253D+15 0.51565410D+15 0.33116753D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 41 kpt= 0.000000 0.500000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.51751986D+14 0.51042738D+14 0.53112568D+14 0.54371372D+14 0.60668463D+14 0.15500213D+15
|
|
# kpt# 42 kpt= 0.250000 0.500000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.70190576D+14 0.79452506D+14 0.13176743D+15 0.13173270D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 43 kpt= 0.500000 0.500000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.56490122D+14 0.40748636D+14 0.46763817D+14 0.44291350D+14 0.13903798D+15 0.21208715D+15
|
|
# kpt# 44 kpt= -0.250000 0.500000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.71376989D+14 0.80646512D+14 0.13341197D+15 0.13338025D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 45 kpt= 0.000000 -0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.16723194D+15 0.19807997D+15 0.31458427D+15 0.20642034D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 46 kpt= 0.250000 -0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.13704544D+15 0.15030141D+15 0.50828677D+15 0.31709541D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 47 kpt= 0.500000 -0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.67076156D+14 0.84970993D+14 0.98222942D+14 0.98198230D+14 0.00000000D+00 0.00000000D+00
|
|
# kpt# 48 kpt= -0.250000 -0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.51746984D+14 0.57100546D+14 0.95827460D+14 0.95799700D+14 0.00000000D+00 0.00000000D+00
|
|
# kpt# 49 kpt= 0.000000 0.000000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.29829472D+14 0.77115111D+14 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
|
|
# kpt# 50 kpt= 0.250000 0.000000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.34568605D+14 0.12816516D+15 0.10525085D+15 0.25484314D+15 0.16419672D+15 0.00000000D+00
|
|
# kpt# 51 kpt= 0.500000 0.000000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.11490058D+14 0.17843469D+14 0.12748998D+14 0.11330164D+15 0.17362177D+15 0.00000000D+00
|
|
# kpt# 52 kpt= -0.250000 0.000000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.35527058D+14 0.12593848D+15 0.10433594D+15 0.26073371D+15 0.18241207D+15 0.00000000D+00
|
|
# kpt# 53 kpt= 0.000000 0.250000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.25273174D+14 0.16390695D+15 0.14396450D+15 0.26545988D+15 0.12981013D+15 0.00000000D+00
|
|
# kpt# 54 kpt= 0.250000 0.250000 -0.250000
|
|
0.00000000D+00 0.30998338D+14 0.46448485D+14 0.57286776D+14 0.11051930D+15 0.72152866D+14 0.17641567D+15 0.00000000D+00
|
|
# kpt# 55 kpt= 0.500000 0.250000 -0.250000
|
|
0.00000000D+00 0.30922457D+14 0.66467313D+14 0.83571571D+14 0.11956311D+15 0.75256714D+14 0.15279615D+15 0.00000000D+00
|
|
# kpt# 56 kpt= -0.250000 0.250000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.23731563D+14 0.10396761D+15 0.15979932D+15 0.38833875D+15 0.14124024D+15 0.00000000D+00
|
|
# kpt# 57 kpt= 0.000000 0.500000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.28695014D+14 0.45523561D+14 0.21946317D+14 0.11273933D+15 0.14622630D+15 0.00000000D+00
|
|
# kpt# 58 kpt= 0.250000 0.500000 -0.250000
|
|
0.00000000D+00 0.30111846D+14 0.66268712D+14 0.78413961D+14 0.93643369D+14 0.78090414D+14 0.15824262D+15 0.00000000D+00
|
|
# kpt# 59 kpt= 0.500000 0.500000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.27806970D+14 0.47308589D+14 0.25512551D+14 0.18918758D+15 0.26986656D+15 0.00000000D+00
|
|
# kpt# 60 kpt= -0.250000 0.500000 -0.250000
|
|
0.00000000D+00 0.30964101D+14 0.66294699D+14 0.78975827D+14 0.92221362D+14 0.72118246D+14 0.16124263D+15 0.00000000D+00
|
|
# kpt# 61 kpt= 0.000000 -0.250000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.25442906D+14 0.16265578D+15 0.14587429D+15 0.27671237D+15 0.13776989D+15 0.00000000D+00
|
|
# kpt# 62 kpt= 0.250000 -0.250000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.25632692D+14 0.10851606D+15 0.16366992D+15 0.38056658D+15 0.12657970D+15 0.00000000D+00
|
|
# kpt# 63 kpt= 0.500000 -0.250000 -0.250000
|
|
0.00000000D+00 0.30316717D+14 0.66771181D+14 0.85137851D+14 0.12123596D+15 0.85255773D+14 0.15242743D+15 0.00000000D+00
|
|
# kpt# 64 kpt= -0.250000 -0.250000 -0.250000
|
|
0.00000000D+00 0.29878440D+14 0.46639465D+14 0.57806285D+14 0.10594092D+15 0.63029172D+14 0.17250466D+15 0.00000000D+00
|
|
|
|
|
|
|
|
# Temperature = 800.00000000
|
|
# For isppol = 1
|
|
# kpt# 1 kpt= 0.000000 0.000000 0.000000
|
|
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
|
|
# kpt# 2 kpt= 0.250000 0.000000 0.000000
|
|
0.00000000D+00 0.35800138D+14 0.38131698D+14 0.73335017D+14 0.10316398D+15 0.18531942D+15 0.34481186D+15 0.00000000D+00
|
|
# kpt# 3 kpt= 0.500000 0.000000 0.000000
|
|
0.00000000D+00 0.00000000D+00 0.13983045D+14 0.11025631D+14 0.63294299D+13 0.11659260D+15 0.22794859D+15 0.00000000D+00
|
|
# kpt# 4 kpt= -0.250000 0.000000 0.000000
|
|
0.00000000D+00 0.35573952D+14 0.39060841D+14 0.73341774D+14 0.98890358D+14 0.17772245D+15 0.35146015D+15 0.00000000D+00
|
|
# kpt# 5 kpt= 0.000000 0.250000 0.000000
|
|
0.00000000D+00 0.41256818D+14 0.34216083D+14 0.81898514D+14 0.75490777D+14 0.17845982D+15 0.31789000D+15 0.00000000D+00
|
|
# kpt# 6 kpt= 0.250000 0.250000 0.000000
|
|
0.00000000D+00 0.55098360D+14 0.64509876D+14 0.21972558D+14 0.31312909D+15 0.11696038D+15 0.14122752D+15 0.28166293D+15
|
|
# kpt# 7 kpt= 0.500000 0.250000 0.000000
|
|
0.00000000D+00 0.65817054D+14 0.68003029D+14 0.26094961D+14 0.46405741D+15 0.11606424D+15 0.13080550D+15 0.44016124D+15
|
|
# kpt# 8 kpt= -0.250000 0.250000 0.000000
|
|
0.00000000D+00 0.40502095D+14 0.35449086D+14 0.67424224D+14 0.71848000D+14 0.14644431D+15 0.42744026D+15 0.00000000D+00
|
|
# kpt# 9 kpt= 0.000000 0.500000 0.000000
|
|
0.00000000D+00 0.00000000D+00 0.15973611D+14 0.19147314D+14 0.13858392D+14 0.18253951D+15 0.18705991D+15 0.00000000D+00
|
|
# kpt# 10 kpt= 0.250000 0.500000 0.000000
|
|
0.00000000D+00 0.86478329D+14 0.10522374D+15 0.29038541D+14 0.55010988D+15 0.10461136D+15 0.12990035D+15 0.47230928D+15
|
|
# kpt# 11 kpt= 0.500000 0.500000 0.000000
|
|
0.00000000D+00 0.00000000D+00 0.17762102D+14 0.20615214D+14 0.14578078D+14 0.16964437D+15 0.35704219D+15 0.00000000D+00
|
|
# kpt# 12 kpt= -0.250000 0.500000 0.000000
|
|
0.00000000D+00 0.86896359D+14 0.10632998D+15 0.29070519D+14 0.55718001D+15 0.10515968D+15 0.13239324D+15 0.47472030D+15
|
|
# kpt# 13 kpt= 0.000000 -0.250000 0.000000
|
|
0.00000000D+00 0.41316338D+14 0.33356971D+14 0.82326605D+14 0.76221763D+14 0.17750783D+15 0.32418823D+15 0.00000000D+00
|
|
# kpt# 14 kpt= 0.250000 -0.250000 0.000000
|
|
0.00000000D+00 0.40160749D+14 0.36997291D+14 0.68482246D+14 0.67038767D+14 0.14010454D+15 0.44114211D+15 0.00000000D+00
|
|
# kpt# 15 kpt= 0.500000 -0.250000 0.000000
|
|
0.00000000D+00 0.65675043D+14 0.69073259D+14 0.26810151D+14 0.46313138D+15 0.11886367D+15 0.13208628D+15 0.43521628D+15
|
|
# kpt# 16 kpt= -0.250000 -0.250000 0.000000
|
|
0.00000000D+00 0.57111838D+14 0.65378193D+14 0.22153084D+14 0.31332392D+15 0.11766624D+15 0.14159762D+15 0.28060051D+15
|
|
# kpt# 17 kpt= 0.000000 0.000000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.33841268D+14 0.84731227D+14 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
|
|
# kpt# 18 kpt= 0.250000 0.000000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.39289353D+14 0.14222784D+15 0.11507045D+15 0.29644045D+15 0.20952455D+15 0.00000000D+00
|
|
# kpt# 19 kpt= 0.500000 0.000000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.12873993D+14 0.20231597D+14 0.14440509D+14 0.12868160D+15 0.19425933D+15 0.00000000D+00
|
|
# kpt# 20 kpt= -0.250000 0.000000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.40269726D+14 0.14764423D+15 0.12315175D+15 0.28876375D+15 0.18677379D+15 0.00000000D+00
|
|
# kpt# 21 kpt= 0.000000 0.250000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.28735244D+14 0.18579244D+15 0.16445885D+15 0.31101330D+15 0.15640685D+15 0.00000000D+00
|
|
# kpt# 22 kpt= 0.250000 0.250000 0.250000
|
|
0.00000000D+00 0.35576424D+14 0.51665537D+14 0.64045711D+14 0.12321997D+15 0.71050834D+14 0.19533793D+15 0.00000000D+00
|
|
# kpt# 23 kpt= 0.500000 0.250000 0.250000
|
|
0.00000000D+00 0.35301659D+14 0.74797827D+14 0.96506054D+14 0.13990448D+15 0.95975263D+14 0.17426144D+15 0.00000000D+00
|
|
# kpt# 24 kpt= -0.250000 0.250000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.27149963D+14 0.12216239D+15 0.18400675D+15 0.43526091D+15 0.14130049D+15 0.00000000D+00
|
|
# kpt# 25 kpt= 0.000000 0.500000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.32466269D+14 0.51737572D+14 0.24774041D+14 0.12818449D+15 0.16635155D+15 0.00000000D+00
|
|
# kpt# 26 kpt= 0.250000 0.500000 0.250000
|
|
0.00000000D+00 0.34286362D+14 0.75061786D+14 0.89683362D+14 0.10608202D+15 0.81127390D+14 0.18022824D+15 0.00000000D+00
|
|
# kpt# 27 kpt= 0.500000 0.500000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.31591840D+14 0.53821756D+14 0.28809103D+14 0.21544773D+15 0.31021058D+15 0.00000000D+00
|
|
# kpt# 28 kpt= -0.250000 0.500000 0.250000
|
|
0.00000000D+00 0.35263339D+14 0.76359357D+14 0.89714648D+14 0.10819076D+15 0.88810371D+14 0.18214305D+15 0.00000000D+00
|
|
# kpt# 29 kpt= 0.000000 -0.250000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.28889799D+14 0.18648053D+15 0.16558026D+15 0.30528870D+15 0.14648218D+15 0.00000000D+00
|
|
# kpt# 30 kpt= 0.250000 -0.250000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.28943490D+14 0.12007435D+15 0.18357534D+15 0.44116468D+15 0.15987631D+15 0.00000000D+00
|
|
# kpt# 31 kpt= 0.500000 -0.250000 0.250000
|
|
0.00000000D+00 0.34434854D+14 0.76693417D+14 0.95555478D+14 0.13737614D+15 0.85845510D+14 0.17143081D+15 0.00000000D+00
|
|
# kpt# 32 kpt= -0.250000 -0.250000 0.250000
|
|
0.00000000D+00 0.33745272D+14 0.53228630D+14 0.66599010D+14 0.12642031D+15 0.82137739D+14 0.19909153D+15 0.00000000D+00
|
|
# kpt# 33 kpt= 0.000000 0.000000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.22408887D+14 0.23970665D+14 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
|
|
# kpt# 34 kpt= 0.250000 0.000000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.15659703D+15 0.17554794D+15 0.28166380D+15 0.19503073D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 35 kpt= 0.500000 0.000000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.36993057D+14 0.21686668D+14 0.29997526D+14 0.28689339D+14 0.72694645D+14 0.22005662D+15
|
|
# kpt# 36 kpt= -0.250000 0.000000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.15568136D+15 0.17474468D+15 0.28148326D+15 0.18735019D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 37 kpt= 0.000000 0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.18861987D+15 0.22394998D+15 0.36006203D+15 0.23708255D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 38 kpt= 0.250000 0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.57926860D+14 0.64082284D+14 0.10657623D+15 0.10654843D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 39 kpt= 0.500000 0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.74616322D+14 0.95095667D+14 0.11049533D+15 0.11046736D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 40 kpt= -0.250000 0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.15788454D+15 0.17333038D+15 0.58504145D+15 0.37480383D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 41 kpt= 0.000000 0.500000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.58558392D+14 0.57685311D+14 0.60061924D+14 0.61499373D+14 0.68694192D+14 0.17559246D+15
|
|
# kpt# 42 kpt= 0.250000 0.500000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.79751995D+14 0.90386392D+14 0.14954711D+15 0.14950800D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 43 kpt= 0.500000 0.500000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.63916360D+14 0.46119225D+14 0.52808880D+14 0.50037773D+14 0.15731541D+15 0.24014926D+15
|
|
# kpt# 44 kpt= -0.250000 0.500000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.80935486D+14 0.91541787D+14 0.15118750D+15 0.15115167D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 45 kpt= 0.000000 -0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.18950583D+15 0.22489195D+15 0.35736742D+15 0.23449146D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 46 kpt= 0.250000 -0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.15543573D+15 0.17082075D+15 0.57784187D+15 0.36086524D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 47 kpt= 0.500000 -0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.76159712D+14 0.96641478D+14 0.11150807D+15 0.11148012D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 48 kpt= -0.250000 -0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.58765266D+14 0.64932712D+14 0.10872261D+15 0.10869123D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 49 kpt= 0.000000 0.000000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.33845032D+14 0.85037596D+14 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
|
|
# kpt# 50 kpt= 0.250000 0.000000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.39290024D+14 0.14644044D+15 0.12009868D+15 0.28980357D+15 0.18617814D+15 0.00000000D+00
|
|
# kpt# 51 kpt= 0.500000 0.000000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.13010616D+14 0.20331571D+14 0.14458274D+14 0.12871296D+15 0.19753295D+15 0.00000000D+00
|
|
# kpt# 52 kpt= -0.250000 0.000000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.40275690D+14 0.14374783D+15 0.11855959D+15 0.29651845D+15 0.20714163D+15 0.00000000D+00
|
|
# kpt# 53 kpt= 0.000000 0.250000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.28728441D+14 0.18694115D+15 0.16390164D+15 0.30212530D+15 0.14712171D+15 0.00000000D+00
|
|
# kpt# 54 kpt= 0.250000 0.250000 -0.250000
|
|
0.00000000D+00 0.35244155D+14 0.52845904D+14 0.65296002D+14 0.12714227D+15 0.81800412D+14 0.19979734D+15 0.00000000D+00
|
|
# kpt# 55 kpt= 0.500000 0.250000 -0.250000
|
|
0.00000000D+00 0.35175989D+14 0.75659250D+14 0.95143392D+14 0.13760660D+15 0.85234273D+14 0.17295958D+15 0.00000000D+00
|
|
# kpt# 56 kpt= -0.250000 0.250000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.27097866D+14 0.11849456D+15 0.18175117D+15 0.44231274D+15 0.16028023D+15 0.00000000D+00
|
|
# kpt# 57 kpt= 0.000000 0.500000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.32453716D+14 0.51757442D+14 0.24774069D+14 0.12817784D+15 0.16634455D+15 0.00000000D+00
|
|
# kpt# 58 kpt= 0.250000 0.500000 -0.250000
|
|
0.00000000D+00 0.34317540D+14 0.75302956D+14 0.89186205D+14 0.10808314D+15 0.88428842D+14 0.17932790D+15 0.00000000D+00
|
|
# kpt# 59 kpt= 0.500000 0.500000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.31478347D+14 0.53827192D+14 0.28807553D+14 0.21543494D+15 0.30696199D+15 0.00000000D+00
|
|
# kpt# 60 kpt= -0.250000 0.500000 -0.250000
|
|
0.00000000D+00 0.35205764D+14 0.75237707D+14 0.89786998D+14 0.10640203D+15 0.81569567D+14 0.18248032D+15 0.00000000D+00
|
|
# kpt# 61 kpt= 0.000000 -0.250000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.28898826D+14 0.18558156D+15 0.16585314D+15 0.31435511D+15 0.15630464D+15 0.00000000D+00
|
|
# kpt# 62 kpt= 0.250000 -0.250000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.29018497D+14 0.12366826D+15 0.18600673D+15 0.43324424D+15 0.14328271D+15 0.00000000D+00
|
|
# kpt# 63 kpt= 0.500000 -0.250000 -0.250000
|
|
0.00000000D+00 0.34568696D+14 0.75914176D+14 0.96874535D+14 0.13965671D+15 0.96583919D+14 0.17272395D+15 0.00000000D+00
|
|
# kpt# 64 kpt= -0.250000 -0.250000 -0.250000
|
|
0.00000000D+00 0.34099012D+14 0.52986202D+14 0.65662442D+14 0.12223118D+15 0.71356513D+14 0.19533545D+15 0.00000000D+00
|
|
|
|
|
|
|
|
# Temperature = 900.00000000
|
|
# For isppol = 1
|
|
# kpt# 1 kpt= 0.000000 0.000000 0.000000
|
|
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
|
|
# kpt# 2 kpt= 0.250000 0.000000 0.000000
|
|
0.00000000D+00 0.40041587D+14 0.42736745D+14 0.81870310D+14 0.11517622D+15 0.20719626D+15 0.38630190D+15 0.00000000D+00
|
|
# kpt# 3 kpt= 0.500000 0.000000 0.000000
|
|
0.00000000D+00 0.00000000D+00 0.15579398D+14 0.12405613D+14 0.70967991D+13 0.13183301D+15 0.25591770D+15 0.00000000D+00
|
|
# kpt# 4 kpt= -0.250000 0.000000 0.000000
|
|
0.00000000D+00 0.39754750D+14 0.43661377D+14 0.81841298D+14 0.11088874D+15 0.19966624D+15 0.39347866D+15 0.00000000D+00
|
|
# kpt# 5 kpt= 0.000000 0.250000 0.000000
|
|
0.00000000D+00 0.46124716D+14 0.38288885D+14 0.91379527D+14 0.84559194D+14 0.20000484D+15 0.35642468D+15 0.00000000D+00
|
|
# kpt# 6 kpt= 0.250000 0.250000 0.000000
|
|
0.00000000D+00 0.61725835D+14 0.72378888D+14 0.24686921D+14 0.35096963D+15 0.13133230D+15 0.15824527D+15 0.31544616D+15
|
|
# kpt# 7 kpt= 0.500000 0.250000 0.000000
|
|
0.00000000D+00 0.73601346D+14 0.76270370D+14 0.29327314D+14 0.52024582D+15 0.13042955D+15 0.14657291D+15 0.49287574D+15
|
|
# kpt# 8 kpt= -0.250000 0.250000 0.000000
|
|
0.00000000D+00 0.45318903D+14 0.39824349D+14 0.75340588D+14 0.80197386D+14 0.16382804D+15 0.47926092D+15 0.00000000D+00
|
|
# kpt# 9 kpt= 0.000000 0.500000 0.000000
|
|
0.00000000D+00 0.00000000D+00 0.17832157D+14 0.21422164D+14 0.15513025D+14 0.20666419D+15 0.21008260D+15 0.00000000D+00
|
|
# kpt# 10 kpt= 0.250000 0.500000 0.000000
|
|
0.00000000D+00 0.96689118D+14 0.11795932D+15 0.32559042D+14 0.61704756D+15 0.11725535D+15 0.14547093D+15 0.52905549D+15
|
|
# kpt# 11 kpt= 0.500000 0.500000 0.000000
|
|
0.00000000D+00 0.00000000D+00 0.19806792D+14 0.23077742D+14 0.16323524D+14 0.19198016D+15 0.40092340D+15 0.00000000D+00
|
|
# kpt# 12 kpt= -0.250000 0.500000 0.000000
|
|
0.00000000D+00 0.97130618D+14 0.11909682D+15 0.32605018D+14 0.62398702D+15 0.11778845D+15 0.14796237D+15 0.53142436D+15
|
|
# kpt# 13 kpt= 0.000000 -0.250000 0.000000
|
|
0.00000000D+00 0.46193899D+14 0.37430904D+14 0.91794035D+14 0.85292534D+14 0.19902241D+15 0.36314597D+15 0.00000000D+00
|
|
# kpt# 14 kpt= 0.250000 -0.250000 0.000000
|
|
0.00000000D+00 0.44879457D+14 0.41367707D+14 0.76320380D+14 0.75372935D+14 0.15756991D+15 0.49373636D+15 0.00000000D+00
|
|
# kpt# 15 kpt= 0.500000 -0.250000 0.000000
|
|
0.00000000D+00 0.73483720D+14 0.77414210D+14 0.30040168D+14 0.51935878D+15 0.13313575D+15 0.14794384D+15 0.48785504D+15
|
|
# kpt# 16 kpt= -0.250000 -0.250000 0.000000
|
|
0.00000000D+00 0.63781431D+14 0.73260898D+14 0.24843177D+14 0.35116460D+15 0.13197429D+15 0.15883309D+15 0.31456139D+15
|
|
# kpt# 17 kpt= 0.000000 0.000000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.37885648D+14 0.92673204D+14 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
|
|
# kpt# 18 kpt= 0.250000 0.000000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.44038306D+14 0.16010594D+15 0.12922241D+15 0.33259526D+15 0.23443355D+15 0.00000000D+00
|
|
# kpt# 19 kpt= 0.500000 0.000000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.14399728D+14 0.22729747D+14 0.16163693D+14 0.14420712D+15 0.21809882D+15 0.00000000D+00
|
|
# kpt# 20 kpt= -0.250000 0.000000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.45045272D+14 0.16606649D+15 0.13788296D+15 0.32394068D+15 0.20897504D+15 0.00000000D+00
|
|
# kpt# 21 kpt= 0.000000 0.250000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.32208666D+14 0.20890322D+15 0.18455431D+15 0.34897107D+15 0.17498456D+15 0.00000000D+00
|
|
# kpt# 22 kpt= 0.250000 0.250000 0.250000
|
|
0.00000000D+00 0.39892257D+14 0.57987530D+14 0.71955908D+14 0.13932876D+15 0.79398196D+14 0.21832479D+15 0.00000000D+00
|
|
# kpt# 23 kpt= 0.500000 0.250000 0.250000
|
|
0.00000000D+00 0.39595840D+14 0.83914752D+14 0.10828565D+15 0.15817108D+15 0.10734882D+15 0.19470202D+15 0.00000000D+00
|
|
# kpt# 24 kpt= -0.250000 0.250000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.30539589D+14 0.13737565D+15 0.20650928D+15 0.48832696D+15 0.15814748D+15 0.00000000D+00
|
|
# kpt# 25 kpt= 0.000000 0.500000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.36248229D+14 0.58006389D+14 0.27622091D+14 0.14372601D+15 0.18657504D+15 0.00000000D+00
|
|
# kpt# 26 kpt= 0.250000 0.500000 0.250000
|
|
0.00000000D+00 0.38506583D+14 0.84068332D+14 0.10053330D+15 0.12019071D+15 0.90617250D+14 0.20152231D+15 0.00000000D+00
|
|
# kpt# 27 kpt= 0.500000 0.500000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.35287280D+14 0.60376729D+14 0.32127714D+14 0.24186742D+15 0.34773381D+15 0.00000000D+00
|
|
# kpt# 28 kpt= -0.250000 0.500000 0.250000
|
|
0.00000000D+00 0.39530802D+14 0.85444724D+14 0.10053220D+15 0.12251230D+15 0.99230162D+14 0.20343432D+15 0.00000000D+00
|
|
# kpt# 29 kpt= 0.000000 -0.250000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.32361960D+14 0.20973142D+15 0.18561373D+15 0.34197705D+15 0.16389849D+15 0.00000000D+00
|
|
# kpt# 30 kpt= 0.250000 -0.250000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.32336851D+14 0.13501451D+15 0.20587701D+15 0.49480565D+15 0.17882561D+15 0.00000000D+00
|
|
# kpt# 31 kpt= 0.500000 -0.250000 0.250000
|
|
0.00000000D+00 0.38694940D+14 0.85966369D+14 0.10716461D+15 0.15545066D+15 0.95885608D+14 0.19167942D+15 0.00000000D+00
|
|
# kpt# 32 kpt= -0.250000 -0.250000 0.250000
|
|
0.00000000D+00 0.37949722D+14 0.59677788D+14 0.74629670D+14 0.14319404D+15 0.91854909D+14 0.22255163D+15 0.00000000D+00
|
|
# kpt# 33 kpt= 0.000000 0.000000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.24966307D+14 0.26706284D+14 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
|
|
# kpt# 34 kpt= 0.250000 0.000000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.17467670D+15 0.19604940D+15 0.31510057D+15 0.21761525D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 35 kpt= 0.500000 0.000000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.41335793D+14 0.24209332D+14 0.33489771D+14 0.32030171D+14 0.81037755D+14 0.24631117D+15
|
|
# kpt# 36 kpt= -0.250000 0.000000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.17374966D+15 0.19526501D+15 0.31500749D+15 0.20994096D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 37 kpt= 0.000000 0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.21088091D+15 0.25075727D+15 0.40291809D+15 0.26514191D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 38 kpt= 0.250000 0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.65060879D+14 0.71961942D+14 0.11954310D+15 0.11951198D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 39 kpt= 0.500000 0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.83789136D+14 0.10685536D+15 0.12385283D+15 0.12382162D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 40 kpt= -0.250000 0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.17634418D+15 0.19390691D+15 0.65480904D+15 0.41869570D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 41 kpt= 0.000000 0.500000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.65399670D+14 0.64365973D+14 0.67068896D+14 0.68686267D+14 0.76775438D+14 0.19631759D+15
|
|
# kpt# 42 kpt= 0.250000 0.500000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.89378462D+14 0.10138969D+15 0.16744693D+15 0.16740341D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 43 kpt= 0.500000 0.500000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.71379471D+14 0.51517190D+14 0.58907079D+14 0.55836623D+14 0.17573800D+15 0.26841829D+15
|
|
# kpt# 44 kpt= -0.250000 0.500000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.90559007D+14 0.10250618D+15 0.16908307D+15 0.16904312D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 45 kpt= 0.000000 -0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.21186729D+15 0.25180062D+15 0.40038437D+15 0.26270943D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 46 kpt= 0.250000 -0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.17390614D+15 0.19142638D+15 0.64777814D+15 0.40489134D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 47 kpt= 0.500000 -0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.85289220D+14 0.10836036D+15 0.12486299D+15 0.12483181D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 48 kpt= -0.250000 -0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.65818350D+14 0.72800524D+14 0.12168384D+15 0.12164885D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 49 kpt= 0.000000 0.000000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.37889629D+14 0.93014950D+14 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
|
|
# kpt# 50 kpt= 0.250000 0.000000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.44040208D+14 0.16490007D+15 0.13502447D+15 0.32492961D+15 0.20827894D+15 0.00000000D+00
|
|
# kpt# 51 kpt= 0.500000 0.000000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.14538214D+14 0.22831319D+14 0.16179376D+14 0.14422855D+15 0.22155175D+15 0.00000000D+00
|
|
# kpt# 52 kpt= -0.250000 0.000000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.45053243D+14 0.16174929D+15 0.13286104D+15 0.33246838D+15 0.23198991D+15 0.00000000D+00
|
|
# kpt# 53 kpt= 0.000000 0.250000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.32201787D+14 0.21019786D+15 0.18394116D+15 0.33895631D+15 0.16452092D+15 0.00000000D+00
|
|
# kpt# 54 kpt= 0.250000 0.250000 -0.250000
|
|
0.00000000D+00 0.39513025D+14 0.59267219D+14 0.73333944D+14 0.14371248D+15 0.91491863D+14 0.22330571D+15 0.00000000D+00
|
|
# kpt# 55 kpt= 0.500000 0.250000 -0.250000
|
|
0.00000000D+00 0.39452190D+14 0.84881719D+14 0.10675627D+15 0.15559079D+15 0.95265744D+14 0.19323771D+15 0.00000000D+00
|
|
# kpt# 56 kpt= -0.250000 0.250000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.30480953D+14 0.13318152D+15 0.20382083D+15 0.49649394D+15 0.17941553D+15 0.00000000D+00
|
|
# kpt# 57 kpt= 0.000000 0.500000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.36234444D+14 0.58025297D+14 0.27622125D+14 0.14371949D+15 0.18656770D+15 0.00000000D+00
|
|
# kpt# 58 kpt= 0.250000 0.500000 -0.250000
|
|
0.00000000D+00 0.38548157D+14 0.84383634D+14 0.10000936D+15 0.12246307D+15 0.98829190D+14 0.20053744D+15 0.00000000D+00
|
|
# kpt# 59 kpt= 0.500000 0.500000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.35170216D+14 0.60379447D+14 0.32126010D+14 0.24185911D+15 0.34427405D+15 0.00000000D+00
|
|
# kpt# 60 kpt= -0.250000 0.500000 -0.250000
|
|
0.00000000D+00 0.39472539D+14 0.84227068D+14 0.10064905D+15 0.12052362D+15 0.91082678D+14 0.20384272D+15 0.00000000D+00
|
|
# kpt# 61 kpt= 0.000000 -0.250000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.32372822D+14 0.20872565D+15 0.18593400D+15 0.35216340D+15 0.17492741D+15 0.00000000D+00
|
|
# kpt# 62 kpt= 0.250000 -0.250000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.32421198D+14 0.13898436D+15 0.20846188D+15 0.48612705D+15 0.16007923D+15 0.00000000D+00
|
|
# kpt# 63 kpt= 0.500000 -0.250000 -0.250000
|
|
0.00000000D+00 0.38843272D+14 0.85087857D+14 0.10865229D+15 0.15801258D+15 0.10796589D+15 0.19313497D+15 0.00000000D+00
|
|
# kpt# 64 kpt= -0.250000 -0.250000 -0.250000
|
|
0.00000000D+00 0.38342254D+14 0.59356998D+14 0.73547294D+14 0.13845607D+15 0.79727691D+14 0.21829252D+15 0.00000000D+00
|
|
|
|
|
|
|
|
# Temperature = 1000.00000000
|
|
# For isppol = 1
|
|
# kpt# 1 kpt= 0.000000 0.000000 0.000000
|
|
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
|
|
# kpt# 2 kpt= 0.250000 0.000000 0.000000
|
|
0.00000000D+00 0.44301382D+14 0.47362876D+14 0.90429364D+14 0.12724345D+15 0.22916301D+15 0.42790793D+15 0.00000000D+00
|
|
# kpt# 3 kpt= 0.500000 0.000000 0.000000
|
|
0.00000000D+00 0.00000000D+00 0.17181627D+14 0.13789923D+14 0.78667188D+13 0.14706327D+15 0.28399561D+15 0.00000000D+00
|
|
# kpt# 4 kpt= -0.250000 0.000000 0.000000
|
|
0.00000000D+00 0.43953572D+14 0.48282972D+14 0.90363735D+14 0.12294202D+15 0.22170020D+15 0.43561571D+15 0.00000000D+00
|
|
# kpt# 5 kpt= 0.000000 0.250000 0.000000
|
|
0.00000000D+00 0.51010201D+14 0.42376104D+14 0.10088227D+15 0.93664072D+14 0.22163622D+15 0.39504213D+15 0.00000000D+00
|
|
# kpt# 6 kpt= 0.250000 0.250000 0.000000
|
|
0.00000000D+00 0.68377849D+14 0.80273694D+14 0.27407513D+14 0.38902237D+15 0.14575642D+15 0.17532620D+15 0.34936250D+15
|
|
# kpt# 7 kpt= 0.500000 0.250000 0.000000
|
|
0.00000000D+00 0.81413104D+14 0.84564340D+14 0.32567369D+14 0.57672561D+15 0.14484790D+15 0.16239894D+15 0.54579277D+15
|
|
# kpt# 8 kpt= -0.250000 0.250000 0.000000
|
|
0.00000000D+00 0.50153050D+14 0.44214486D+14 0.83275892D+14 0.88576860D+14 0.18127697D+15 0.53118641D+15 0.00000000D+00
|
|
# kpt# 9 kpt= 0.000000 0.500000 0.000000
|
|
0.00000000D+00 0.00000000D+00 0.19698877D+14 0.23707527D+14 0.17176623D+14 0.23076692D+15 0.23319415D+15 0.00000000D+00
|
|
# kpt# 10 kpt= 0.250000 0.500000 0.000000
|
|
0.00000000D+00 0.10693957D+15 0.13073904D+15 0.36090967D+14 0.68435108D+15 0.12995982D+15 0.16111203D+15 0.58601401D+15
|
|
# kpt# 11 kpt= 0.500000 0.500000 0.000000
|
|
0.00000000D+00 0.00000000D+00 0.21861779D+14 0.25552465D+14 0.18077815D+14 0.21429666D+15 0.44498841D+15 0.00000000D+00
|
|
# kpt# 12 kpt= -0.250000 0.500000 0.000000
|
|
0.00000000D+00 0.10740471D+15 0.13190799D+15 0.36151009D+14 0.69116526D+15 0.13047764D+15 0.16360202D+15 0.58834087D+15
|
|
# kpt# 13 kpt= 0.000000 -0.250000 0.000000
|
|
0.00000000D+00 0.51089098D+14 0.41519260D+14 0.10128234D+15 0.94399776D+14 0.22062322D+15 0.40218729D+15 0.00000000D+00
|
|
# kpt# 14 kpt= 0.250000 -0.250000 0.000000
|
|
0.00000000D+00 0.49615138D+14 0.45752976D+14 0.84173778D+14 0.83737124D+14 0.17510065D+15 0.54643849D+15 0.00000000D+00
|
|
# kpt# 15 kpt= 0.500000 -0.250000 0.000000
|
|
0.00000000D+00 0.81319897D+14 0.85782128D+14 0.33277880D+14 0.57587818D+15 0.14746059D+15 0.16386043D+15 0.54069592D+15
|
|
# kpt# 16 kpt= -0.250000 -0.250000 0.000000
|
|
0.00000000D+00 0.70475740D+14 0.81169403D+14 0.27539385D+14 0.38921774D+15 0.14633416D+15 0.17613263D+15 0.34865563D+15
|
|
# kpt# 17 kpt= 0.000000 0.000000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.41950554D+14 0.10065400D+15 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
|
|
# kpt# 18 kpt= 0.250000 0.000000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.48807600D+14 0.17809751D+15 0.14342959D+15 0.36886711D+15 0.25942733D+15 0.00000000D+00
|
|
# kpt# 19 kpt= 0.500000 0.000000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.15930430D+14 0.25236128D+14 0.17895232D+14 0.15980630D+15 0.24201443D+15 0.00000000D+00
|
|
# kpt# 20 kpt= -0.250000 0.000000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.49841273D+14 0.18461032D+15 0.15266926D+15 0.35923439D+15 0.23125961D+15 0.00000000D+00
|
|
# kpt# 21 kpt= 0.000000 0.250000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.35694862D+14 0.23215199D+15 0.20472209D+15 0.38704581D+15 0.19362443D+15 0.00000000D+00
|
|
# kpt# 22 kpt= 0.250000 0.250000 0.250000
|
|
0.00000000D+00 0.44224369D+14 0.64326408D+14 0.79886358D+14 0.15539355D+15 0.87774556D+14 0.24140106D+15 0.00000000D+00
|
|
# kpt# 23 kpt= 0.500000 0.250000 0.250000
|
|
0.00000000D+00 0.43906023D+14 0.93053234D+14 0.12009423D+15 0.17639059D+15 0.11875833D+15 0.21522364D+15 0.00000000D+00
|
|
# kpt# 24 kpt= -0.250000 0.250000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.33941072D+14 0.15268541D+15 0.22909508D+15 0.54153960D+15 0.17506156D+15 0.00000000D+00
|
|
# kpt# 25 kpt= 0.000000 0.500000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.40045760D+14 0.64299225D+14 0.30484488D+14 0.15934042D+15 0.20687265D+15 0.00000000D+00
|
|
# kpt# 26 kpt= 0.250000 0.500000 0.250000
|
|
0.00000000D+00 0.42744438D+14 0.93107701D+14 0.11141924D+15 0.13425126D+15 0.10014846D+15 0.22290409D+15 0.00000000D+00
|
|
# kpt# 27 kpt= 0.500000 0.500000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.38997200D+14 0.66955493D+14 0.35462897D+14 0.26841204D+15 0.38540992D+15 0.00000000D+00
|
|
# kpt# 28 kpt= -0.250000 0.500000 0.250000
|
|
0.00000000D+00 0.43816028D+14 0.94562879D+14 0.11138574D+15 0.13678729D+15 0.10969128D+15 0.22481379D+15 0.00000000D+00
|
|
# kpt# 29 kpt= 0.000000 -0.250000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.35846890D+14 0.23311743D+15 0.20571924D+15 0.37878236D+15 0.18137686D+15 0.00000000D+00
|
|
# kpt# 30 kpt= 0.250000 -0.250000 0.250000
|
|
0.00000000D+00 0.00000000D+00 0.35742147D+14 0.15005302D+15 0.22826230D+15 0.54859186D+15 0.19784136D+15 0.00000000D+00
|
|
# kpt# 31 kpt= 0.500000 -0.250000 0.250000
|
|
0.00000000D+00 0.42970971D+14 0.95261022D+14 0.11880271D+15 0.17347177D+15 0.10596120D+15 0.21200897D+15 0.00000000D+00
|
|
# kpt# 32 kpt= -0.250000 -0.250000 0.250000
|
|
0.00000000D+00 0.42170164D+14 0.66143963D+14 0.82680587D+14 0.15991208D+15 0.10160124D+15 0.24610119D+15 0.00000000D+00
|
|
# kpt# 33 kpt= 0.000000 0.000000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.27538384D+14 0.29457408D+14 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
|
|
# kpt# 34 kpt= 0.250000 0.000000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.19282612D+15 0.21662631D+15 0.34868203D+15 0.24030054D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 35 kpt= 0.500000 0.000000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.45691828D+14 0.26741348D+14 0.37001577D+14 0.35390382D+14 0.89418366D+14 0.27266005D+15
|
|
# kpt# 36 kpt= -0.250000 0.000000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.19188966D+15 0.21586322D+15 0.34867680D+15 0.23263261D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 37 kpt= 0.000000 0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.23320867D+15 0.27763880D+15 0.44593895D+15 0.29330459D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 38 kpt= 0.250000 0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.72219848D+14 0.79866816D+14 0.13255639D+15 0.13252195D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 39 kpt= 0.500000 0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.92994582D+14 0.11864941D+15 0.13725927D+15 0.13722482D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 40 kpt= -0.250000 0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.19485971D+15 0.21454386D+15 0.72484550D+15 0.46276839D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 41 kpt= 0.000000 0.500000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.72265621D+14 0.71073556D+14 0.74116809D+14 0.75915003D+14 0.84896067D+14 0.21713826D+15
|
|
# kpt# 42 kpt= 0.250000 0.500000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.99050992D+14 0.11244214D+15 0.18543105D+15 0.18538312D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 43 kpt= 0.500000 0.500000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.78868668D+14 0.56934499D+14 0.65043052D+14 0.61672755D+14 0.19426346D+15 0.29683387D+15
|
|
# kpt# 44 kpt= -0.250000 0.500000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.10022858D+15 0.11351952D+15 0.18706281D+15 0.18701872D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 45 kpt= 0.000000 -0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.23429583D+15 0.27878373D+15 0.44356665D+15 0.29103125D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 46 kpt= 0.250000 -0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.19243871D+15 0.21209943D+15 0.71798392D+15 0.44909878D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 47 kpt= 0.500000 -0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.94451214D+14 0.12011343D+15 0.13826675D+15 0.13823233D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 48 kpt= -0.250000 -0.250000 0.500000
|
|
0.00000000D+00 0.00000000D+00 0.72896057D+14 0.80693546D+14 0.13469131D+15 0.13465270D+15 0.00000000D+00 0.00000000D+00
|
|
# kpt# 49 kpt= 0.000000 0.000000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.41954753D+14 0.10103109D+15 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
|
|
# kpt# 50 kpt= 0.250000 0.000000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.48810730D+14 0.18347043D+15 0.15000536D+15 0.36017277D+15 0.23046416D+15 0.00000000D+00
|
|
# kpt# 51 kpt= 0.500000 0.000000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.16070779D+14 0.25339299D+14 0.17908840D+14 0.15981785D+15 0.24564650D+15 0.00000000D+00
|
|
# kpt# 52 kpt= -0.250000 0.000000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.49851243D+14 0.17986806D+15 0.14721748D+15 0.36853510D+15 0.25692207D+15 0.00000000D+00
|
|
# kpt# 53 kpt= 0.000000 0.250000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.35687904D+14 0.23359249D+15 0.20405301D+15 0.37590430D+15 0.18198205D+15 0.00000000D+00
|
|
# kpt# 54 kpt= 0.250000 0.250000 -0.250000
|
|
0.00000000D+00 0.43798180D+14 0.65705418D+14 0.81392154D+14 0.16024060D+15 0.10121243D+15 0.24690361D+15 0.00000000D+00
|
|
# kpt# 55 kpt= 0.500000 0.250000 -0.250000
|
|
0.00000000D+00 0.43744397D+14 0.94125751D+14 0.11839811D+15 0.17352730D+15 0.10533307D+15 0.21359690D+15 0.00000000D+00
|
|
# kpt# 56 kpt= -0.250000 0.250000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.33875894D+14 0.14796856D+15 0.22597377D+15 0.55082156D+15 0.19861817D+15 0.00000000D+00
|
|
# kpt# 57 kpt= 0.000000 0.500000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.40030747D+14 0.64317172D+14 0.30484529D+14 0.15933403D+15 0.20686498D+15 0.00000000D+00
|
|
# kpt# 58 kpt= 0.250000 0.500000 -0.250000
|
|
0.00000000D+00 0.42796390D+14 0.93497154D+14 0.11086851D+15 0.13679354D+15 0.10927094D+15 0.22183478D+15 0.00000000D+00
|
|
# kpt# 59 kpt= 0.500000 0.500000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.38876576D+14 0.66955502D+14 0.35461040D+14 0.26840819D+15 0.38173925D+15 0.00000000D+00
|
|
# kpt# 60 kpt= -0.250000 0.500000 -0.250000
|
|
0.00000000D+00 0.43757061D+14 0.93249216D+14 0.11154708D+15 0.13459706D+15 0.10063704D+15 0.22529326D+15 0.00000000D+00
|
|
# kpt# 61 kpt= 0.000000 -0.250000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.35859587D+14 0.23200423D+15 0.20608692D+15 0.39008866D+15 0.19361235D+15 0.00000000D+00
|
|
# kpt# 62 kpt= 0.250000 -0.250000 -0.250000
|
|
0.00000000D+00 0.00000000D+00 0.35835831D+14 0.15440328D+15 0.23100065D+15 0.53915484D+15 0.17694185D+15 0.00000000D+00
|
|
# kpt# 63 kpt= 0.500000 -0.250000 -0.250000
|
|
0.00000000D+00 0.43133802D+14 0.94283216D+14 0.12045903D+15 0.17631554D+15 0.11938345D+15 0.21362690D+15 0.00000000D+00
|
|
# kpt# 64 kpt= -0.250000 -0.250000 -0.250000
|
|
0.00000000D+00 0.42601508D+14 0.65744798D+14 0.81452403D+14 0.15462694D+15 0.88127923D+14 0.24133887D+15 0.00000000D+00
|
|
|
|
|
|
|