Re: [Wien] wien2k parallelization error

Remove the two lines residue:compute-0-0:1 lapw1:compute-0-0:6 And try again. This may not solve the problem. On Sat, Aug 13, 2016 at 3:07 PM, Soumen Bag wrote: > Dear wien2k experts, > > I got following error while running "x lapw1 -p" > > starting parallel lapw1 at Sun

[Wien] wien2k parallelization error

Dear wien2k experts, I got following error while running "x lapw1 -p" starting parallel lapw1 at Sun Aug 14 01:26:54 IST 2016 -> starting parallel LAPW1 jobs at Sun Aug 14 01:26:54 IST 2016 running LAPW1 in parallel mode (using .machines) *@: Expression Syntax.* 0.042u 0.838s 0:00.32 271.8%

Re: [Wien] AB0.6C0.4 structure

Yes, that you can say. Typically the exact stoichiometry might not be so important compared to the distribution of your atoms. The relevance depends in particular on the size of your supercell and the types of order you introduced. It can make a lot of difference if you have different local

[Wien] AB0.6C0.4 structure

Dear Wien2k-users, Suppose I would like to study AB0.6C0.4 compound using AB structure andreplacing B atom with C atom. I could make AB0.612C0.398 structure using  "supercell" program and AB structure. Can we say results of AB0.6C0.4 will be the same as AB0.612C0.398 ? With best, Amir