Dear wien2k users,
I installed a wien2k version 10 on a Ubuntu 12.04 LTS using Ifort and MKL
non-commercial. There was no error during compilation. But during the
initialize calculations an invalid null command appears
#using the x nn
Invalid null command.
specify nn-bondlength factor:
hup: Command not found is not a problem:
http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg06444.html
Invalid null command might be due to a problem with csh, maybe it is
using an exotic version:
http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg00132.html
On
And why are you installing version 10 ??
Using such an outdated version for a new installation is strange.
On 07/31/2014 10:52 AM, Gavin Abo wrote:
hup: Command not found is not a problem:
http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg06444.html
Invalid null command might
Dear All
PLease help regarding this problem
sgroup (11:02:38) Error: duplicated atoms found! Atoms #1 and #3
coincide.
Error: duplicated atoms found! Atoms #1 and #3 coincide.
diff: Sr.outputsgroup: No such file or directory
diff: Sr.outputsgroup1: No such file or directory
Error:
Dear All
PLease help regarding this problem
sgroup (11:02:38) Error: duplicated atoms found! Atoms #1 and #3
coincide.
Error: duplicated atoms found! Atoms #1 and #3 coincide.
diff: Sr.outputsgroup: No such file or directory
diff: Sr.outputsgroup1: No such file or directory
Error:
You should look at the case.struct, there should be two atoms at the same
place, for example;
Fe has two atoms in the conventional cell, 000 .5.5.5, but if you put these two
atoms and also put the cell as body center then the atom at 000 will be
repeated at .5.5.5 and viceversa
6 matches
Mail list logo
