Dear All I have tried to optimize k points for WS2 structure. But for all values of k points (221), (441), (6 6 1) etc total energy is coming out exactly the same. I have attached my input file. Can anyone please help me out?
Thank you in advance
WS2_2.in
Description: Binary data
_______________________________________________ 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 users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users