Dear Dr.Blaha and Wien2k users, The case.in1 file for each structure generated in phonon calculations has a default linearization energy of 0.30. Can we use the -in1ef switch to avoid any warning messages
So , can we put in the run_phonon script Run_lapw -I -i 200 -in1ef -cc 0.0001 -fc 0.1 -p Thanks Suddhasattwa -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110104/6e583ef1/attachment.htm>
