Can someone help me with the problem scf convergence when performing vc-relax on three layer MoS2? Below i attached the input file..?

I tried to perform vc-relax calculation on three layer Mos2 using qe. Whenever i run the calculations, i always get error like task # 35 from c_bands : error # 1...

06 April 2023 7,707 2 View