dft_tools/doc/Ce-gamma.struct

Title                                                                          
F   LATTICE,NONEQUIV.ATOMS:  1225_Fm-3m                                        
MODE OF CALC=RELA unit=bohr                                                    
  9.750000  9.750000  9.750000 90.000000 90.000000 90.000000                   
ATOM   1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 2
Ce         NPT=  781  R0=0.00001000 RMT=    2.5000   Z: 58.0                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
   0      NUMBER OF SYMMETRY OPERATIONS
Add documentation 2013-08-07 16:40:18 +02:00			`Title`
			`F LATTICE,NONEQUIV.ATOMS: 1225_Fm-3m`
			`MODE OF CALC=RELA unit=bohr`
			`9.750000 9.750000 9.750000 90.000000 90.000000 90.000000`
			`ATOM 1: X=0.00000000 Y=0.00000000 Z=0.00000000`
			`MULT= 1 ISPLIT= 2`
small corrections Hub-I tutorial 2014-04-01 16:02:20 +02:00			`Ce NPT= 781 R0=0.00001000 RMT= 2.5000 Z: 58.0`
Add documentation 2013-08-07 16:40:18 +02:00			`LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000`
			`0.0000000 1.0000000 0.0000000`
			`0.0000000 0.0000000 1.0000000`
			`0 NUMBER OF SYMMETRY OPERATIONS`