diff --git a/画图/拉曼整体图/POSCAR b/画图/拉曼整体图/POSCAR new file mode 100644 index 0000000..5634156 --- /dev/null +++ b/画图/拉曼整体图/POSCAR @@ -0,0 +1,16 @@ +sm_isp_SD1628877-standardized_unitcell +1.0 + 3.0932917595 -0.0000000000 0.0000000000 + -1.5466458797 2.6788692450 0.0000000000 + 0.0000000000 0.0000000000 10.1261215210 + Si C + 4 4 +Cartesian + -0.000000002 1.785912884 2.530495816 + 1.546645788 0.892956361 7.593556577 + 0.000000000 0.000000000 10.124562250 + 0.000000000 0.000000000 5.061501490 + -0.000000002 1.785912884 4.434660329 + 1.546645788 0.892956361 9.497720786 + 0.000000000 0.000000000 1.896658357 + 0.000000000 0.000000000 6.959719117 diff --git a/画图/拉曼整体图/atom.csv b/画图/拉曼整体图/atom.csv new file mode 100644 index 0000000..d21a5e1 --- /dev/null +++ b/画图/拉曼整体图/atom.csv @@ -0,0 +1,9 @@ +id,type,x,y,z +0,0,0,1.785912884,2.530495816 +1,0,1.546645788,0.892956361,7.593556577 +2,0,0,0,10.124562250 +3,0,0,0,5.061501490 +4,1,0,1.785912884,4.434660329 +5,1,1.546645788,0.892956361,9.497720786 +6,1,0,0,1.896658357 +7,1,0,0,6.959719117 diff --git a/画图/拉曼整体图/data.csv b/画图/拉曼整体图/data.csv deleted file mode 100644 index bab5957..0000000 --- a/画图/拉曼整体图/data.csv +++ /dev/null @@ -1,3 +0,0 @@ -Type,Radius,X,Y,Z,Vx,Vy,Vz -0,0.5,0,0,0,1,0,0 -1,0.8,1,1,1,2,0,0 diff --git a/画图/拉曼整体图/frame.csv b/画图/拉曼整体图/frame.csv new file mode 100644 index 0000000..64c42e8 --- /dev/null +++ b/画图/拉曼整体图/frame.csv @@ -0,0 +1,13 @@ +x0,y0,z0,x1,y1,z1 +0,0,0,3.0932917595,0,0 +-1.5466458797,2.6788692450,0,1.5466458797,2.6788692450,0 +0,0,0,-1.5466458797,2.6788692450,0 +3.0932917595,0,0,1.5466458797,2.6788692450,0 +0,0,0,0,0,10.1261215210 +-1.5466458797,2.6788692450,0,-1.5466458797,2.6788692450,10.1261215210 +3.0932917595,0,0,3.0932917595,0,10.1261215210 +1.5466458797,2.6788692450,0,1.5466458797,2.6788692450,10.1261215210 +0,0,10.1261215210,3.0932917595,0,10.1261215210 +-1.5466458797,2.6788692450,10.1261215210,1.5466458797,2.6788692450,10.1261215210 +0,0,10.1261215210,-1.5466458797,2.6788692450,10.1261215210 +3.0932917595,0,10.1261215210,1.5466458797,2.6788692450,10.1261215210 diff --git a/画图/拉曼整体图/mode/0.csv b/画图/拉曼整体图/mode/0.csv new file mode 100644 index 0000000..0f906c3 --- /dev/null +++ b/画图/拉曼整体图/mode/0.csv @@ -0,0 +1,9 @@ +id,vx,vy,vz +0,0,0,1 +1,0,0,1 +2,0,0,1 +3,0,0,1 +4,0,0,1 +5,0,0,1 +6,0,0,1 +7,0,0,1