[Wien] Using Phonon 6.15 in Wien2k

[Gavin Abo]

In the init_phonon_lapw script file, can you see if it fixes your 
problem by changing the first line from

#!/bin/csh -f

to

#!/bin/tcsh -f

Perhaps it behaves differently on other systems (with different csh 
versions), but csh version 20110502-2ub in 64 bit Ubuntu 14.04 LTS seems 
to not be able to resolve a proper argument count with $#a on line 49 in 
init_phonon_lapw.  However, when it is changed to tcsh (version 
6.18.01-2), it seems to work fine.

On 7/12/2016 3:49 AM, Murat Aycibin wrote:
> 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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20160712/5f3ae3e4/attachment.html>