In this video we learn how to convert CIF files (Files that contain information about crystal structure of compounds) to quantum espresso input file. In order to do this, you must have quantum espresso installed in your computer.
Пікірлер: 2
@user-ds5mq9kn8m6 ай бұрын
thanks can you sent me ther script
@user-bz3ru2ff7r15 күн бұрын
the script for conversion is present in the same directory of your QE installation. Just check it out!