Search found 2 matches
- Tue Jun 09, 2015 6:59 am
- Forum: VTSTTools
- Topic: Insert 4 images then continue insert 4 images between 2、3
- Replies: 2
- Views: 10433
Re: Insert 4 images then continue insert 4 images between 2、
In addition to this question, i have one more query. After adding 4 more images between 02 and 03 the working directory will consists 00, 01, 02, 03, 04, 05, 06 where 00 and 06 are actually 02 and 03 from earlier calculation. Now, my question is what will be POSCAR in the 00 and 06 directory. Whethe...
- Wed May 20, 2015 12:20 pm
- Forum: VTSTTools
- Topic: Can the NEB be run with deactivated IMAGES-tag
- Replies: 5
- Views: 14261
Re: Can the NEB be run with deactivated IMAGES-tag
To solve this issue i used the following way and faced one confusion. Parallel node run 1) I made six images using nebmake.pl I ran the NEB parallely using six nodes and got the TS. Single node run 1) I made one more directory (read 'one') where i have copied the generated 01 directory. Following th...