Generating .gin file

GULP
1

Hi Julian,

I wonder whether the methods for generating the .gin file.

I used to write the GULP input .gin file by myself by finding the required information (charge, lattice constant, etc). I wonder whether there are some interface softwares such as Material Studio or VMD, or others, that once I have the molecular structure, the required .gin file can be generated by the software.

Looking forwards to your reply.

Sincerely,

Catherine

2

Hi, Materials Studio indeed has a user interface to create input files, run the executable, and analyse the results.

3

Hi Victor,

I found it, thanks you!

Best regards,

Catherine