dft_tools/python/converters/plovasp/examples/lunio3/rotations

# Rotations to the local frames

#  Atom  1, Euler angles: 44.57639968  16.85783381 -11.27701880
  0.38045444863   0.05847209742   0.07282374934   0.27130935338   0.87916060116
 -0.26548421431   0.78270891327   0.33738843326   0.43922773606  -0.10066245585
  0.02793493813  -0.09400347991   0.87385177595  -0.47142545676   0.06726141074
  0.11214484811  -0.54286439359   0.34241445738   0.71241867354  -0.26064104853
 -0.87830274777  -0.28356545426   0.00107688253   0.06072810673   0.38011294872

#  Atom  2, Euler angles: 47.67919913  16.85783423  11.27702026
 -0.44835779602  -0.08059449489   0.07251344244   0.26569233153   0.84653954413
 -0.10160916307   0.51163832768   0.35542791179   0.72915358208  -0.26440093208
 -0.02793494291   0.09400349403   0.87385176987  -0.47142546468   0.06726141256
  0.26969226294  -0.80346823694   0.32365046757   0.41084840677  -0.09032628101
 -0.84565748799  -0.27808790765  -0.00680142052  -0.08187952499  -0.44808482755

#  Atom  3, Euler angles:-133.92682764  17.32502138 165.73386489
  0.42474364412  -0.05919623743   0.07674521204  -0.27806951500   0.85608186496
  0.27929719729   0.78784591591  -0.35463192502   0.41101628718   0.08120158747
  0.03668336697   0.12133769713   0.86698007031   0.47720500874   0.06747170631
 -0.09422739956  -0.52571244938  -0.34158989281   0.72252862625   0.27571062205
 -0.85519672598   0.29102955535  -0.00287628125  -0.06301365234   0.42421853379

#  Atom  4, Euler angles:-135.60182669  17.32502172 -165.73386378
 -0.43875616246   0.06397634469   0.07678214913  -0.27699516110   0.84898659561
  0.09192658044   0.51921347838  -0.34449569877   0.72588538389   0.27636930122
 -0.03668337098  -0.12133770845   0.86698006522   0.47720501465   0.06747170748
 -0.28006291089  -0.79214400488  -0.35180986204   0.40505852046   0.07893071297
 -0.84809293709   0.29001625337   0.00161325481   0.06758002057  -0.43824568573
Added an example on LuNiO3 The example allows one to get an idea of how to define projectors in case of a complex system with several atoms per unit cell. 2015-11-20 18:08:14 +01:00			`# Rotations to the local frames`

			`# Atom 1, Euler angles: 44.57639968 16.85783381 -11.27701880`
			`0.38045444863 0.05847209742 0.07282374934 0.27130935338 0.87916060116`
			`-0.26548421431 0.78270891327 0.33738843326 0.43922773606 -0.10066245585`
			`0.02793493813 -0.09400347991 0.87385177595 -0.47142545676 0.06726141074`
			`0.11214484811 -0.54286439359 0.34241445738 0.71241867354 -0.26064104853`
			`-0.87830274777 -0.28356545426 0.00107688253 0.06072810673 0.38011294872`

			`# Atom 2, Euler angles: 47.67919913 16.85783423 11.27702026`
			`-0.44835779602 -0.08059449489 0.07251344244 0.26569233153 0.84653954413`
			`-0.10160916307 0.51163832768 0.35542791179 0.72915358208 -0.26440093208`
			`-0.02793494291 0.09400349403 0.87385176987 -0.47142546468 0.06726141256`
			`0.26969226294 -0.80346823694 0.32365046757 0.41084840677 -0.09032628101`
			`-0.84565748799 -0.27808790765 -0.00680142052 -0.08187952499 -0.44808482755`

			`# Atom 3, Euler angles:-133.92682764 17.32502138 165.73386489`
			`0.42474364412 -0.05919623743 0.07674521204 -0.27806951500 0.85608186496`
			`0.27929719729 0.78784591591 -0.35463192502 0.41101628718 0.08120158747`
			`0.03668336697 0.12133769713 0.86698007031 0.47720500874 0.06747170631`
			`-0.09422739956 -0.52571244938 -0.34158989281 0.72252862625 0.27571062205`
			`-0.85519672598 0.29102955535 -0.00287628125 -0.06301365234 0.42421853379`

			`# Atom 4, Euler angles:-135.60182669 17.32502172 -165.73386378`
			`-0.43875616246 0.06397634469 0.07678214913 -0.27699516110 0.84898659561`
			`0.09192658044 0.51921347838 -0.34449569877 0.72588538389 0.27636930122`
			`-0.03668337098 -0.12133770845 0.86698006522 0.47720501465 0.06747170748`
			`-0.28006291089 -0.79214400488 -0.35180986204 0.40505852046 0.07893071297`
			`-0.84809293709 0.29001625337 0.00161325481 0.06758002057 -0.43824568573`