[交流] 【求助】dmol过渡态确认已有1人参与

6楼: Originally posted by qdykswang at 2013-12-10 22:52:56
First of all, when your QST finishes, set up the TS Confirmation but click 'save files' instead of 'run.' It will create a folder with a name like <name> DMol3 TSConf with the files <name&g ...