On Dec 17, 2011, at 11:14 , Yunpeng Wang wrote: > from expint : error # 1 > bad arguments > > Where is the problem?
it is where the error message says it is: in "expint" (flib/expint.f90). If you go inside the file, you will see that this error arises when * n < 0 , or * n=0,1 and x<=0, or * n>1 and x<0 The second case is the relevant one, I guess, Please specify which version of QE you are using: there have been several minor changes to the HSE routines since the first release. P. --- Paolo Giannozzi, Dept of Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
