Re: [Wien] optics broken symmetry

2018-09-03 Thread Peter Blaha
No, does not seem to be a user error (or I made the same mistake). I could reproduce Olegs results. There is a problem in optics (joint). Analysis is underway ... On 09/03/2018 01:59 PM, Laurence Marks wrote: What you are doing "should" work -- I have done similar things myself. I have also

Re: [Wien] optics broken symmetry

2018-09-03 Thread Laurence Marks
What you are doing "should" work -- I have done similar things myself. I have also managed to do it "not quite right" in the past as well. The most obvious possibility is user error. One thing I would check is shifting the k-mesh. For reasons that I do not fully understand this can break

Re: [Wien] MKL error

2018-09-03 Thread Luis Ogando
Dear Yundi, Thank you for your help ! I am now discussing this with the TI team. All the best, Luis Em qui, 30 de ago de 2018 às 18:18, Yundi Quan escreveu: > The input parameters for DSTEIN2 can be found here > >