在MS中如何加电场？
在MS中，加电场是对.std文件加电场还是xsd文件也就是说如何加电场？
请高手赐教，谢谢！
在MS的discover和dmol3模块中可以加电场
在Dmol生成的input 文件的最后加入：electric_fieldxyz
x,y,z 是你沿x,y,z方向所加电场的强度，比如0.010.010.01。
MS中电场的量纲是52V/埃。
加入以后，保存了以后，run file 就可以了 with Discover, in this case you can run for periodic structures, but here also you have to write the script in the input file through BTCL.
Please find the attached BTCL script to get this done.
BTCL script for the external electric field:
begin
Electric_Field 298 0 0 1 1e+007 1e+009 3 1000 50 100 1 0
dynamics time = 10000 execute frequency = 1000 command = {print archive}
efield_off
Explanation as they appeared in the command line of electric field
Electric_Field Temperature Field Component X(0) Y(0) Z (1) Initial field 1e+007 V/m Final Field 1e+009 Specify the total number of poling stages. Default = 3. Specify the duration of the NVT simulations for each stage, in femtoseconds. Default = 1000.0 fs. Specify the number of times polarization is calculated during a stage. Polarization is also calculated before and after each stage. Default = 50. Specify the interval, in femtoseconds, over which to compute properties (for example, polarization) at the end of a stage. Default = 100 fs
太有用了，请问可以模拟加电场后的流体物性吗？ 我也想知道液体中的电场怎么加 :L:L:L:L:L:L :handshake
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