mirror of
https://github.com/triqs/dft_tools
synced 2024-12-23 12:55:17 +01:00
11d394fd5b
* moved the plovasp C++ code to c++/triqs_dft_tools/converters/vasp * added global header triqs_dft_tools/triqs_dft_tools.hpp * python dir based on single cmakelist file * registered C++ tests for plovasp * corrected imports for py3 tests for plovasp * corrected block order in sigma_from_file and srvo3_Gloc * exchanged ref files for sigma_from_file, srvo3_Gloc, SrVO3.ref.h5 * moved vasp converter bash scripts from dir shells to bin dir
19 lines
936 B
Plaintext
19 lines
936 B
Plaintext
# Rotations to the local frames
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# Atom 1, Euler angles: 44.57639968 16.85783381 -11.27701880
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0.02793493813 -0.09400347991 0.87385177595 -0.47142545676 0.06726141074
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-0.87830274777 -0.28356545426 0.00107688253 0.06072810673 0.38011294872
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# Atom 2, Euler angles: 47.67919913 16.85783423 11.27702026
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-0.02793494291 0.09400349403 0.87385176987 -0.47142546468 0.06726141256
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-0.84565748799 -0.27808790765 -0.00680142052 -0.08187952499 -0.44808482755
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# Atom 3, Euler angles:-133.92682764 17.32502138 165.73386489
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0.03668336697 0.12133769713 0.86698007031 0.47720500874 0.06747170631
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-0.85519672598 0.29102955535 -0.00287628125 -0.06301365234 0.42421853379
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# Atom 4, Euler angles:-135.60182669 17.32502172 -165.73386378
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-0.03668337098 -0.12133770845 0.86698006522 0.47720501465 0.06747170748
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-0.84809293709 0.29001625337 0.00161325481 0.06758002057 -0.43824568573
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