Re: [Wien] nnn too small

Okay sir i'll try to update the latest version. Thank you for your help Afiq Radzwan, Master of philosophy(Physics) candidate Department of Physics, Faculty of Science, Universiti Teknologi Malaysia, 81310 UTM Johor Bahru, JOHOR, MALAYSIA. af...@live.utm.my afiqradzwan1...@gmail.com +601112108576

Re: [Wien] nnn too small

Your struct file works nicely with WIEN2k_17. Update your wien2k. Note: you must follow the suggestions of sgroup ! (inversion) (PS: do you really need such a thick slab ??? for such a large cell you should use larger, carefully selected RMTs and you will need a powerful cluster with many

Re: [Wien] nnn too small

I wrote "2 1D-5 20". On Wed, Aug 2, 2017 at 7:07 AM, afiq radzwan wrote: > but sir even I change dlimit & dstmax with different value such as > 0.5,1 and 20, the result is still the same > > Afiq Radzwan, > Master of philosophy(Physics) candidate > Department of

Re: [Wien] nnn too small

but sir even I change dlimit & dstmax with different value such as 0.5,1 and 20, the result is still the same Afiq Radzwan, Master of philosophy(Physics) candidate Department of Physics, Faculty of Science, Universiti Teknologi Malaysia, 81310 UTM Johor Bahru, JOHOR, MALAYSIA.

Re: [Wien] nnn too small

As the code suggests, change dlimit & dstmax, e.g. enter 2 1.d-5 20 (not "2"). I am 98% certain this will remove the issue. --- Professor Laurence Marks "Research is to see what everybody else has seen, and to think what nobody else has thought", Albert Szent-Gyorgi

[Wien] nnn too small

Dear WIEN2K users,I am running wien2K version 13 on a 32-core machine.I have problem with initialization after constructing supercell. I am trying to increase the unit cell up to 6 unit in z direction and I got these on my terminal for x nn: specify nn-bondlength factor: (usually=2) [and