I do not find any problems. You have probably used too many trial files in the same directory, maybe with too small a cut-off energy. I recommend you start over in a new directory with only the same struct-file. You should use a cut-off energy of -7 since clear semi-core states can be found and core leakage occurs.
With kind regards Kurt Lejaeghere Ghent University, Belgium Citeren ?? <wangjingjing at ciac.jl.cn>: > Sir, > I have seen your answers about "QTL Warning for Fe_cubic_Space > Group 225" in Wien mailing list. I have met the same problem or even > worse: an "L2main - QTL-B Error" is reported. I have tried many ways > but cannot remove the error. The associated files are listed in > attachments. any suggentions will be appreciated! >
