[Wien] Dipan error in NN.DEF instead of dipan.def

Gavin Abo gsabo at crimson.ua.edu
Sun Nov 1 22:31:45 CET 2015


Dear Prof. Blaha,

I came across the following when someone else used "dipan dipan.def" 
instead of "x dipan".

You might want to change the definition file error messages for dipan on 
lines 87-88 in SRC_dipan/dipan.f of WIEN2k 14.2 to something like:

8000 WRITE(*,*) ' ERROR IN OPENING:',fname
        STOP 'dipan.def'

Below is a test case before and after the change in a bash terminal ($):

username at computername:~/wiendata/test$ ls
test.indipan  test.struct
username at computername:~/wiendata/test$ dipan dipan.def
   ERROR IN OPENING NN.DEF !!!!
NN.DEF
username at computername:~/wiendata/test$ cd $WIENROOT/SRC_dipan
username at computername:~/WIEN2k/SRC_dipan$ patch -b dipan.f dipan.patch
patching file dipan.f
username at computername:~/WIEN2k/SRC_dipan$ make
...
username at computername:~/WIEN2k/SRC_dipan$ cp dipan ..
username at computername:~/WIEN2k/SRC_dipan$ cd ~/wiendata/test
username at computername:~/wiendata/test$ dipan dipan.def
   ERROR IN OPENING:
  dipan.def

dipan.def

dipan.patch should be available at 
https://github.com/gsabo/WIEN2k-Patches/tree/master/14.2 (click 
WIEN2k-Patches and Download ZIP)

Best Regards,

Gavin
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