| 查看: 283 | 回复: 5 | |||
| 当前主题已经存档。 | |||
[交流]
【求助】Discover模块支持外加电场么？
|
|||
| Discover模块支持外加电场么？怎么输入关键字啊 |
回复此楼» 猜你喜欢
导师想让我从独立一作变成了共一第一
已经有8人回复
-
博士读完未来一定会好吗
已经有23人回复
-
到新单位后，换了新的研究方向，没有团队，持续积累2区以上论文，能申请到面上吗
已经有11人回复
-
读博
已经有4人回复
-
JMPT 期刊投稿流程
已经有4人回复
-
心脉受损
已经有5人回复
-
Springer期刊投稿求助
已经有4人回复
-
小论文投稿
已经有3人回复
-
申请2026年博士
已经有6人回复
★ ★ ★
qasd(金币+3,VIP+0):xiexie 3-1 11:38
qasd(金币+3,VIP+0):xiexie 3-1 11:38
|
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. |
2楼2009-02-26 19:18:23
3楼2009-03-02 10:02:33
4楼2009-03-02 10:29:03
5楼2009-03-02 10:30:11
6楼2009-03-04 23:10:08