elements={'H': (1.0079,30,1),
'He': (4.0026,108,2),
'Li': (6.941,145,3),
'Be': (9.0122,105,4),
'B': (10.811,85,5),
'C': (12.011,70,6),
'N': (14.0067,65,7),
'O': (15.9994,60,8),
'F': (18.998,50,9),
'Ne': (20.180,132,10),
'Na': (22.990,180,11),
'Mg': (24.305,150,12),
'Al': (26.982,125,13),
'Si': (28.086,110,14),
'P': (30.974,100,15),
'S': (32.0666,100,16),
'Cl': (35.453,100,17),
'Ar': (39.948,177,18),
'K': (39.098,220,19),
'Ca': (40.078,180,20),
'Sc': (44.956,160,21),
'Ti': (47.867,140,22),
'V': (50.942,135,23),
'Cr': (51.996,140,24),
'Mn': (54.938,140,25),
'Fe': (55.845,140,26),
'Co': (58.933,135,27),
'Ni': (58.693,135,28),
'Cu': (63.546,135,29),
'Zn': (65.39,135,30),
'Ga': (69.723,130,31),
'Ge': (72.61,125,32),
'As': (74.922,115,33),
'Se': (78.963,115,34),
'Br': (79.904,115,35),
'Kr': (83.801,187,36),
'Rb': (85.468,235,37),
'Sr': (87.621,200,38),
'Y': (88.906,180,39),
'Zr': (91.224,155,40),
'Nb': (92.906,145,41),
'Mo': (95.941,145,42),
'Tc': (97.907,135,43),
'Ru': (101.07,130,44),
'Rh': (102.906,135,45),
'Pd': (106.421,140,46),
'Ag': (107.868,160,47),
'Cd': (112.411,155,48),
'In': (114.818,155,49),
'Sn': (118.710,145,50),
'Sb': (121.760,145,51),
'Te': (127.603,140,52),
'I': (126.904,140,53),
'Xe': (131.292,203,54),
'Cs': (132.905,260,55),
'Ba': (137.327,215,56),
'La': (138.905,195,57),
'Ce': (140.116,185,58),
'Pr': (140.908,185,59),
'Nd': (144.242,185,60),
'Pm': (144.913,185,61),
'Sm': (150.362,185,62),
'Eu': (151.964,185,63),
'Gd': (157.253,180,64),
'Tb': (158.925,175,65),
'Dy': (162.500,175,66),
'Ho': (164.9300,175,67),
'Er': (167.2593,175,68),
'Tm': (168.934,175,69),
'Yb': (173.043,175,70),
'Lu': (174.967,175,71),
'Hf': (178.492,155,72),
'Ta': (180.948,145,73),
'W': (183.841,135,74),
'Re': (186.2071,135,75),
'Os': (190.233,130,76),
'Ir': (192.217,135,77),
'Pt': (195.085,135,78),
'Au': (196.967,135,79),
'Hg': (200.592,150,80),
'Tl': (204.383,190,81),
'Pb': (207.21,180,82),
'Bi': (208.980,160,83),
'Po': (208.982,190,84),
'At': (209.987,200,85),
'Rn': (222.018,200,86),
'Fr': (223.020,200,87),
'Ra': (226.0254,215,88),
'Ac': (227.027,195,89),
'Th': (232.038,180,90),
'Pa': (231.036,180,91),
'U': (238.029,175,92),
'Np': (237.048,175,93),
'Pu': (244.064,175,94),
'Am': (243.061,175,95)}

plottyp={'density': (0,'spin_component',0,1,1,1,1),
         'spin-polarization': (6,1,1,1,1,1,1),
         'psi2': (7,'kpoint',1,'kband',1,'lsign','true')}

ibravset={'0': (0.0000,1,1),
       '1': (0.0000,1,1),
       '2': (0.0000,1,1),
       '3': (0.0000,1,1),
       '4': (0.0000,1,0.000),
       '6': (0.0000,1,0.000),
       '7': (0.0000,1,0.000),
       '8': (0.0000,0.000,0.000),
       '9': (0.0000,0.000,0.000),
       '10': (0.0000,0.000,0.000),
       '11': (0.0000,0.000,0.000)}