[Pw_forum] Problem with q2r.x running

[Viet Bac]

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
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