Dear Elias and? Bramha Pandey NaN in *.QHA.out file appears due to some negative frequency. Check your frequency file created in QHA run_me process. If negative frequency is created then it mean that you have to run your phonon file with a change in tr2_ph=1.0d-10 to tr2_ph=1.0d-16 or any other negative number greater than 10. Hope that by this change negative frequency will not appear and you will not get NaN message.
Muhammad Zafar PhD Scholar Department of Physics The Islamia University of Bahawalpur,Pakistan -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130502/5d70d570/attachment.html
