关于高斯ADMP初始动能的计算

柯柯爱喝热可可

进行高斯ADMP计算时，用readvelocity设置了Bohr/s为单位的初始速度，为什么log文件里显示初始的动能是0呢，不应该是按照输入的初始速度计算初始动能吗
以下是log文件内容的截取
General parameters:
Maximum Steps                =    1000
Random Number Generator Seed =    398465
Time Step                    =  1.00000 femtosec
Ficticious electronic mass   =  0.10000 amu
MW individual basis funct.   = True
Initial nuclear kin. energy  =  0.00000 hartree
Initial electr. kin. energy  =  0.00000 hartree
   Initial electr. KE scheme  =  0
Multitime step - NDtrC       =       1
Multitime step - NDtrP       =       1
No Thermostats chosen to control nuclear temperature

Integration parameters:

Follow Rxn Path (DVV)        = False
Read in converged density
Projection of angular mom.   = True
Rotate density with nuclei   = True

Initial velocity (bohr/sec) for trajectory
I=    1 X=  -1.391160000000D-04 Y=   1.065120000000D-04 Z=  -1.234410000000D-04
I=    2 X=   2.640990000000D-04 Y=   1.271906000000D-03 Z=  -8.566200000000D-04
I=    3 X=   7.369200000000D-04 Y=  -1.728347000000D-03 Z=  -9.095040000000D-04
I=    4 X=   1.092995000000D-03 Y=  -1.102460000000D-03 Z=   3.370113000000D-03
I=    5 X=   3.182170000000D-04 Y=   4.498100000000D-05 Z=   3.621120000000D-04
I=    6 X=  -6.826190000000D-04 Y=  -7.686600000000D-05 Z=  -2.549170000000D-04