[Wien] which file I can delete

Gavin Abo gsabo at crimson.ua.edu
Mon Apr 25 08:30:56 CEST 2016


> You must use the command
>
> restore_lapw -d directory

Apparently, your computer works better than ours.  I also don't see the 
case.scf restored unless the script is modified:

username at computername:~/wiendata/TiC$ cat $WIENROOT/VERSION
WIEN2k_14.2 (Release 15/10/2014)
username at computername:~/wiendata/TiC$ ls
TiC.struct
username at computername:~/wiendata/TiC$ init_lapw -b -numk 1000
...
username at computername:~/wiendata/TiC$ run_lapw
...
username at computername:~/wiendata/TiC$ ls TiC.scf
TiC.scf
username at computername:~/wiendata/TiC$ save_lapw -d TiCscf
...
username at computername:~/wiendata/TiC$ restore_lapw -d TiCscf
...
username at computername:~/wiendata/TiC$ ls TiC.scf
ls: cannot access TiC.scf: No such file or directory
username at computername:~/wiendata/TiC$ sed -n 118p $WIENROOT/restore_lapw 
| cut -c 236-261
  $savedir/$savefile.scf2*
username at computername:~/wiendata/TiC$ gedit $WIENROOT/restore_lapw
username at computername:~/wiendata/TiC$ sed -n 118p $WIENROOT/restore_lapw 
| cut -c 236-260
  $savedir/$savefile.scf*
username at computername:~/wiendata/TiC$ restore_lapw -d TiCscf
...
username at computername:~/wiendata/TiC$ ls TiC.scf
TiC.scf


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