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ÏÂÃæÒ»¶ÎFortran´úÂë»áÔÚÃüÁî´°¿ÚÌáʾÓû§ÊäÈëתÖáºÍת½Ç£¬µ«ÊÇÎÒ²»Ã÷°×ÊäÈëµÄ¸ñʽÊÇʲô£¬ÒòΪÎÒ¸Õ¸Õ½Ó´¥µ½FortranдµÄ³ÌÐò£¬ËùÒÔ¿´²»¶®¡£Òò´ËÔÚÕâÀïÇëÇó¸÷λ³æÓÑÃǰïСµÜ¿´¿´¡£Ð»Ð»ÁË¡£Ö÷ÒªÊÇǰ¼¸ÐС£ c define rotation of lattice axes c 2 write(*,'(a)',advance='NO') ' axis (x/y/z/q) and degree : ' read(*,*,end=3) axis,degree degr = 3.1415926535898d0 * degree / 180.0d0 if(axis(1:1).eq.'q' .or. axis(1:1).eq.'Q') goto 3 if(axis(1:1).eq.'x' .or. axis(1:1).eq.'X') then rotation(1,1) = one rotation(2,1) = zero rotation(3,1) = zero rotation(1,2) = zero rotation(2,2) = dcos(degr) rotation(3,2) = - dsin(degr) rotation(1,3) = zero rotation(2,3) = dsin(degr) rotation(3,3) = dcos(degr) call matrix_product(tmp_rotation,rotation,all_rotation) tmp_rotation = all_rotation elseif(axis(1:1).eq.'y' .or. axis(1:1).eq.'Y') then rotation(1,1) = dcos(degr) rotation(2,1) = zero rotation(3,1) = dsin(degr) rotation(1,2) = zero rotation(2,2) = one rotation(3,2) = zero rotation(1,3) = - dsin(degr) rotation(2,3) = zero rotation(3,3) = dcos(degr) call matrix_product(tmp_rotation,rotation,all_rotation) tmp_rotation = all_rotation elseif(axis(1:1).eq.'z' .or. axis(1:1).eq.'Z') then rotation(1,1) = dcos(degr) rotation(2,1) = - dsin(degr) rotation(3,1) = zero rotation(1,2) = dsin(degr) rotation(2,2) = dcos(degr) rotation(3,2) = zero rotation(1,3) = zero rotation(2,3) = zero rotation(3,3) = one call matrix_product(tmp_rotation,rotation,all_rotation) tmp_rotation = all_rotation endif |
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