[Wien] How to plot partial band structure

Dear users,please tell me how can I plot a partial band structure.Thanks in advance___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at:

Re: [Wien] about xcrysden

try with this in terminal: sudo apt-get install libXss.so.1 sudo apt-get install apt-file apt-file update apt-file search libXss.so.1 sudo apt-get install libxss1 sudo apt-get install libXss.so.1 sudo apt-get install gnome-desktop-environment sudo apt-get update Le Samedi 21 décembre 2013

Re: [Wien] error in lapw2

, but use the original case.in2c file (maybe you made an error during editing this file). Then do: x kgen  (2) x lapw1    (you don't need -c, this is done automatically) x lapw2 -fermi        (do NOT edit case.in2c before) On 12/18/2013 05:31 PM, berber mo wrote: Dear all users. I install

[Wien] error in lapw2

Dear all users. I install the latest version of WIEN2k (13.1) I try to calculate the optic properties : 1-x kgen (with 2) 2-x lapw1 -c 3-change fermi in place tot (case.in2c) 4-x lapw2 -c -fermi and I get this error At line 60 of file fermi_tmp_.F (unit = 30, file = 'q.energy') Fortran

[Wien] error in mBJ

hello dear users.. i'm using WIEN2k 13.1 with Ubuntu 13.10 x86_64 i have a problem, with mBJ and i follow the instructions in userguide. i try with GaAs structure : berber@berber:~/WIEN2k/GaAs$ init_mbj_lapw prepared GaAs.inm_vresp and changed to R2V in GaAs.in0 Now do:   run_lapw -i 1 -NI   

[Wien] mBJ error

Dear all I install the latest version of WIEN2k (13.1) I followed all the steps (MBJ) mentioned in userguide.. I chose the GaAs structure as an example but in the last step I have the following error: GaAs$ run_lapw -i 80 hup: Command not found. STOP  LAPW0 END At line 1831 of file lapw0.F (unit

Re: [Wien] error in lapw2

thank you very much for your help Best wishes berber mohamed Le Vendredi 22 novembre 2013 11h54, Lyudmila Dobysheva lyuk...@mail.ru a écrit : 22.11.2013 00:06, berber mo пишет: i have this error i need your help:   LAPW0 END   LAPW1 END forrtl: severe (174): SIGSEGV, segmentation

Re: [Wien] problem with testpara

/2013 1:52 PM, berber mo wrote: dear all I have this problem with testpara: K-Vectors must be read from unit 4 for parallel execution! Change setting in case.in1! please help me best regards ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http

Re: [Wien] problem with testpara

I use WIEN2k12 please tel me how to create a patch ? Le Mardi 19 novembre 2013 23h35, berber mo berbermoha...@yahoo.fr a écrit : I use WIEN2k12 please tel me how to ceate a patch ? Le Samedi 16 novembre 2013 22h33, Gavin Abo gs...@crimson.ua.edu a écrit : What Wien2k version are you

Re: [Wien] problem with testpara

I use WIEN2k12 please tel me how to create a patch ? Le Mardi 19 novembre 2013 23h38, berber mo berbermoha...@yahoo.fr a écrit : I use WIEN2k12 please tel me how to create a patch ? Le Mardi 19 novembre 2013 23h35, berber mo berbermoha...@yahoo.fr a écrit : I use WIEN2k12 please tel

[Wien] problem with testpara

dear all I have this problem with testpara: K-Vectors must be read from unit 4 for parallel execution! Change setting in case.in1! please help me best regards___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at

[Wien] error in Lapw1 Seclr4 -PORTF(Scalapack/lapack) failed

i run scf without error but in lapw1-band I receive this message error. Cholesky Info = 5277 Seclr4 -PORTF(Scalapack/lapack) failed. please help me. ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at