Dear Users I try to relax the FeO unit cell but I face a problem that is attached here in the output file and I also attached the input file. In the input file are no. of atoms right with ibrav value? In input i am using angstrom atomic position exactly at the same position as crystal. Please help to resolve this problem.
-- With Regards Vishva Jeet Anand Research Scholar Department of Chemistry
fe_relax.in
Description: Binary data
fe_relax.out
Description: chemical/gulp
_______________________________________________ The Quantum ESPRESSO community stands by the Ukrainian people and expresses its concerns about the devastating effects that the Russian military offensive has on their country and on the free and peaceful scientific, cultural, and economic cooperation amongst peoples _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
