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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