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
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
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
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.
4 matches
Mail list logo