Search found 5 matches

by siddharth
Tue Mar 28, 2023 2:04 pm
Forum: VTSTTools
Topic: dist.pl script shows different distance values
Replies: 7
Views: 13237

Re: dist.pl script shows different distance values

Thank you sir for the help with the scripts. The issue is now fixed.
by siddharth
Thu Mar 23, 2023 2:32 pm
Forum: VTSTTools
Topic: dist.pl script shows different distance values
Replies: 7
Views: 13237

Re: dist.pl script shows different distance values

Sir, has the issue with dist.pl script been fixed?
by siddharth
Thu Mar 16, 2023 7:02 pm
Forum: VTSTTools
Topic: dist.pl script shows different distance values
Replies: 7
Views: 13237

Re: dist.pl script shows different distance values

Thank you Sir!!
by siddharth
Thu Mar 16, 2023 6:27 pm
Forum: VTSTTools
Topic: dist.pl script shows different distance values
Replies: 7
Views: 13237

Re: dist.pl script shows different distance values

Sir, the two POSCAR files, ini and fin-POSCAR for the initial and final coordinates of the atoms have been attached below. I want to calculate the distance between Li1 with coordinates (0.38 0.08 1.09) present in ini-POSCAR to Li2 with coordinates (0.7 0.62 1.09) present in fin-POSCAR.
by siddharth
Thu Mar 16, 2023 2:37 pm
Forum: VTSTTools
Topic: dist.pl script shows different distance values
Replies: 7
Views: 13237

dist.pl script shows different distance values

Dear All,
I have a trigonal crystal structure, and I would like to find the activation energy of the migration of an atom in it. Using VESTA, I have made 2 POSCARS for the initial and final position of the atom, and I know the distance between them. However, when I am using dist.pl script to find ...