[Wien] optimization

2016-10-07 Thread boudiaf khadidja
clmextrapol_lapw has generated a new case.clmsum changing TOT to FOR in case.in2c changing TOT to FOR in case.in2_ls changing TOT to FOR in case.in2_st changing TOT to FOR in case.in2_sy what does this expresion means .plz ___ Wien mailing list

Re: [Wien] Problem Wannier

2016-10-07 Thread novakp
Dear Manish Kumar, wannier90 is not included in the WIEN2k, but it is a freeware,which you can download from the wannier90 web page. If you compile the last version and put it in directory wannier90, the sequence of commands is x kgen -fbz x lapw1 -p -orb write_inwf write_win