If you initialize and do a calculation in /home/bruno/Wien2k/hpn_final,
then "save_lapw -d hpn_final_converged", you should not do a calculation
in the save_lapw subdirectory.
See the WIEN2k usersguide. You can "restore_lapw -d hpn_final_converged"
and do further calculations in /home/bruno/Wien2k/hpn_final.
On 9/18/2015 5:18 PM, Bruno Landeros wrote:
Dear Gavin:
I was trying to run inside a subdirectory created by the save_lawp -d
option. This subdirectory was
/home/bruno/Wien2k/hpn_final/hpn_final_converged.
I tried to run in a previous directory which is
/home/bruno/Wien2k/hpn_final and it finally worked. Maybe something
was wrong with the full path of the subdirectory.
Thank you very much!
------------------------------------------------------------------------
To: wien@zeus.theochem.tuwien.ac.at
From: gs...@crimson.ua.edu
Date: Fri, 18 Sep 2015 16:24:59 -0600
Subject: Re: [Wien] Problem with aim.def
I do a quick test in a bash ($) terminal and this is what I get:
username@computername:~/Desktop/test$ pwd
/home/username/Desktop/test <= What is your full path? If it is long,
try shorting it. Is your directory name "hpn_final_converged" or this
the name cutoff?
username@computername:~/Desktop/test$ rm aim.def <= Maybe, remove the
aim.def and try again.
username@computername:~/Desktop/test$ aim
ERROR IN OPENING AIM.DEF !!!!
AIM.DEF
username@computername:~/Desktop/test$ aim aim.def
ERROR IN OPENING AIM.DEF !!!!
AIM.DEF
username@computername:~/Desktop/test$ ls -l aim.def
ls: cannot access aim.def: No such file or directory
username@computername:~/Desktop/test$ x aim
1.0u 0.0s 0:01.02 99.0% 0+0k 0+96io 0pf+0w <= I experience no error
here with "x aim".
username@computername:~/Desktop/test$ ls -l aim.def
-rw-rw-r-- 1 username username 330 Sep 18 16:04 aim.def <= What are
your read permissions for aim.def?
username@computername:~/Desktop/test$ cat aim.def
5 ,'test.inaim', 'old', 'formatted',0
6 ,'test.outputaim', 'unknown','formatted',0
8 ,'test.struct', 'old', 'formatted',0
9 ,'test.clmsum', 'old', 'formatted',0
21,'test.surf', 'unknown','formatted',0
22,'test.crit', 'unknown','formatted',0
77,'test.aim_surface_errors', 'unknown','formatted',0
On 9/18/2015 1:28 PM, Bruno Landeros wrote:
Dese Gabin:
I didn't craeate manually the aim.def. First I tried by using
$ x aim
Then it was automatically generated but giving the same mistake.
Then I tried:
$ x aim -d
To generate the aim.def and then run ir. But the mistake was the
same in either case:
ERROR IN OPENING AIM.DEF
AIM.DEF
Thank you for answering! Have you another suggestion of what may
be possibly wrong?
Greetings
Bruno
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