Re: [Wien] probably solving the case with problem of CYZ lattice and supercell

2014-09-10 Thread Tomas Kana
Hello Sikander, I was thinking about the problem and I am sure that you have probably again run the init_lapw script and accepted the suggestions it gives to you. I think you must be sure that the structure file you specify as input file in x supercell is Primitive unit cell and not CYZ unit

[Wien] A Mailing list for WIEN2k users [wien@zeus.theochem.tuwien.ac.at]

2014-09-10 Thread seyfettin cakmak
Bu bir deneme çalışmasıdır. Amacım wien2k kullanıcıları için e-mail listesini sizlerle paylaşmaktır. Prof. Dr. Seyfettin ÇAKMAK ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the

Re: [Wien] Wien2k_13 lapw1 error

2014-09-10 Thread Sven Friedemann
Dear Peter, thank you for your answer. I couldn't resolve it with a simple recompile. But using WIEN2k_v14 did the job. It might be that I corrected some compiler settings this way. Anyway, now it is running smoothly. Best wishes, Sven Am 08.09.2014 14:30, schrieb Peter Blaha: All I can see

[Wien] TiC calculation with dstart

2014-09-10 Thread Naoto Takanashi
Dear WIEN2k users: I'm a new user of WIEN2k. I installed WIEN2k in ubuntu 12.04 on VirtualBox. I tried the TiC calculation, but it doesn't work. When I click the x dstart on the page of initialize calculation with w2web, this is displayed.