syml自动生成k点

vasp计算能带时候，自动生成K点 4 100 100 100 M 0.0 0.5 0.0 G 0.0 0.0 0.0 K -0.3333333333 0.6666666667 0 M 0.0 0.5 0.0 7.063119888 0.000000000 0.000000000 0.141580494 0.081741536 0.000000000 -3.531559944 6.116841253 0.000000000 0.000000000 0.163483072 0.000000000 0.000000000 0.000000000 22.936150078 0.000000000 0.000000000 0.043599296 -20.0 20 -2.8596 #############comment 1 line: nhighk !how many high symmetry k-points 2 : ndiv(i) !number of grid points between two symmetry k-points 3 : labhk(i), phighk(i,j) !label of high sysmmetry k-points, coordinates ...... 9 : a(i,j),b(i,j) !direct & reciprocal lattice vectors ...... 12 : emin, emax ! energy width of band plot 13 : efermi ! fermi level ############## \\\\X-----Gam-----R-----X-----M-----R----Gam---M Delta ^ S Z T ^ Sigma 1 16 31 46 56 71 86 101 SC: -------------------------------------------- X:0.0 0.5 0.0 G:0.0 0.0 0.0 M:0.5 0.5 0.0 R:0.5 0.5 0.5 k-points 3 : labhk(i), phighk(i,j) !label of high sysmmetry k-points, coordinates ...... 9 : a(i,j),b(i,j) !direct & reciprocal lattice vectors ...... 12 : emin, emax ! energy width of band plot 13 : efermi ! fermi level ############## \\\\X-----Gam-----R-----X-----M-----R----Gam---M Delta ^ S Z T ^ Sigma 1 16 31 46 56 71 86 101 SC: -------------------------------------------- X:0.0 0.5 0.0 G:0.0 0.0 0.0 M:0.5 0.5 0.0 R:0.5 0.5 0.5