Dear Dr. Paolo, Thank you for your answer, I found that when I decrease the threshold for SC in el-ph calculation tr2_ph =1e-14, q2r.x cannot read a2Fq2r data. It works with tr2_ph =1e-10. So could you please help me to solve this problem from q2r.f90?
Bac ------------------------------ Phung Viet Bac Division of Mathematical and Physical Science, Graduate School of Natural Science and Technology, Kanazawa University, Kakuma, Kanazawa 920-1192, JAPAN > (Is there any problem with a2Fq2r.* data??) sure there is one, and it is explicitle stated in the error message: > forrtl: severe (59): list-directed I/O syntax error, unit 51, > file /../a2Fq2r.51 Paolo --- Paolo Giannozzi, Dept of Physics, University of Udine via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20071207/315cdc01/attachment.htm
