[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

[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

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] 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] 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

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: