Aihua Zhang wrote: > I am new to pwscf and encounter the following error:
when? if it happens after the first optimization step, try to remove all this stuff: > bfgs_ndim = 3, > pot_extrapolation = "second_order", > wfc_extrapolation = "second_order", If not, please provide an input and and an output Paolo -- Paolo Giannozzi, Democritos and University of Udine, Italy
