About PCDAT?
Posted: Thu Jul 29, 2010 3:53 am
Dear all,
This is the head of PCDAT file after runing the VASP example H20MD.
1 3 1 0 0.8535574E+02 0.2000000E+04
CAR
unknown system
0 0 0
1 1
256 256 256
256
0.1000000E-09
0.6250000E-11
1
0.5000000E-15 0.6350160E-09 0.6350160E-09 0.6350160E-09
0.1562246E+04 0.1562246E+04
what's meaning of each line and each data?
Thank you very much.
xfh00
This is the head of PCDAT file after runing the VASP example H20MD.
1 3 1 0 0.8535574E+02 0.2000000E+04
CAR
unknown system
0 0 0
1 1
256 256 256
256
0.1000000E-09
0.6250000E-11
1
0.5000000E-15 0.6350160E-09 0.6350160E-09 0.6350160E-09
0.1562246E+04 0.1562246E+04
what's meaning of each line and each data?
Thank you very much.
xfh00