[Wien] Using Phonon 6.15 in Wien2k

Murat Aycibin aycibin at gmail.com
Tue Jul 12 11:49:04 CEST 2016


Hi all users
I have question related iwtj Phonon 6.15 in wien2k. To calculated phonon
properties of materials ı am using Phonon 6.15 sofware program and this
program requested .hff file which is created by Wien2k or other program.
after obtanin supercell  (*.d45) file from phonon 6.15 we are using wien2k
to obtain hff file. and first running init_phonon_lapw, it is asking rmt
for eachatom if they are different from 2.0. and inserted all atom but
again it is saying that did you enter 2.00 for atom when ı said no it is
going same  progress and end ı say yes ı did 2.0. Now How can ı change rmt
for each atom or is there any example which ı can use to create .hff file
for choosing example
-- 
Yrd Doc Dr. Murat Aycibin
Van Yuzuncu Yil Universitesi
Fizik Bolumu
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