[Wien] Regarding error message on using xcrysden with wien2k18.2

[Gavin Abo]

I don't know if the 2017 version of crystal (CRYSTAL17) [ 
http://www.crystal.unito.it/index.php ] works with XCrySDen.  You might 
need one of the older CRYSTAL-95/98/03/06 versions [ 
http://www.xcrysden.org/doc/crystal.html ].

If you have one of the older versions installed that works on your 
system, then try changing in XCrySDen 1.5.60 the line

set system(c95_crystal) /usr/local/bin/crystal

in ~/.xcrysden/custom-definitions to where you installed the crystal 
executable file.

If you don't have crystal installed on your system, then edit the 
custom-definitions file in a text editor (like gedit, nano, or vi):

gedit ~/.xcrysden/custom-definitions

and change "set system(c95_exist) 1" [ 
http://www.xcrysden.org/doc/custom.html ] instead to:

set system(c95_exist) 0

On 8/7/2018 12:19 AM, Krisna Swaroop Sharma wrote:
> Dear Prof. Blaha, Prof. Abo and Wien users
> We have upgraded WIEN2K with 18.2 version on my i5 laptop with 4 
> cores, using intel parallel studio for I Fort and icc. After 
> installation of WIEN2K and XCrysden, it works well, except that it 
> gives an error message while viewing structure or charge density 
> distribution with XCrysden. The error message is: ‘Error: File 
> “/usr/local/bin/crystal” does no exist. OK. Though after clicking on 
> OK, it displays the structure or charge distribution.
> Any suggestion is welcome to know as to why this message comes and how 
> to fix it.
> Sincerely Yours
> Dr. K. S. Sharma
> Professor of Physics
> The IIS Univercity Jaipur (India)

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