Re: [Wien] About mailing list

2016-11-18 Thread Fecher, Gerhard
There are things known and things unknown and in between are the doors. Jim Morrison, 1943 - 1971 Sorry, but I did never understood why there are questions possible where the answer is known before the question is asked Now I understand, it is just the repetition of a repetition. Ciao Gerhard

[Wien] [not solved] regarding permission of Wien2k commands

2016-11-18 Thread Martin Kroeker
My guess is you either changed the permissions of the directory (folder) where the wien executables are stored (normally these should have at least the "r" and the "x" in all the three groups following the "d", e.g. "drwxr-xr-x 71 root root 20480 2. Jan 2015 /opt/wien2k") or you trashed the

[Wien] vec2old_lapw

2016-11-18 Thread Martin Kroeker
You will probably find the "vec2old_lapw" executable (or rather, shell script) in the same directory as lapw2 etc. - what is special about it, is that it is one of a handful of tools that relies on /bin/tcsh to run it, while most use /bin/csh (on "most" linux systems, /bin/csh will be just a

[Wien] About mailing list

2016-11-18 Thread amina flower
Hello, I am a new subscriber to the mailing list of Wien2k, where should I post my question if I have any ? Best regards. ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the

[Wien] About mailing list

2016-11-18 Thread amina flower
Hello I an a new subscriber, if I have any question where and how should I post it. Best regards. ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at:

[Wien] Problem with k-vectors in "filename. spaghetti_ene"

2016-11-18 Thread Hosein Khani
The first three columns of "filename.spaghetti_ene" seem to represent the (kx,ky,kz) in the chosen path (by xcrysden) for band plot.However, they don't give the expected results. For example for a hexagonal structure, like MoS2,the angle Gamma-M-K is not 90 deg. Also Gamma-M is not equal to half

Re: [Wien] regarding permission of Wien2k commands

2016-11-18 Thread Elias Assmann
Dear Bhamu, I fail to understand the problem. On 11/17/2016 08:33 AM, Dr. K. C. Bhamu wrote: > While playing with unix commands on my machine, I lost permission of all > Wien2k commands. Because of this I am not able to run any Wien2k commands. > > I am getting the following permissions for all

Re: [Wien] [not solved] regarding permission of Wien2k commands

2016-11-18 Thread Lyudmila Dobysheva
17.11.2016 21:35, Dr. K. C. Bhamu wrote: I ran the chmod -R ugo+r,a+X * command in the Wien2k dir and the problem is still same: -rwxrwxr-x for all files. On Thu, Nov 17, 2016 at 01:03:48PM +0530, Dr. K. C. Bhamu wrote: > I am getting the following permissions for all commands: