[Wien] Tetra-elastt error

2016-01-02 Thread Muhammad Sajjad
Dear Users I am running tetra-elast for elastic constant calculation (for the given example PtSi). C11+c12, C33, Czz run quite well but for C11-C12, C44, C66 i face the following error. Please suggest the possible solution. .machine0 : processors running dstart in single mode DSTART - Error ** d

[Wien] spin-orbit in L2,3 (or M4,5) ELNES calculations

2016-01-02 Thread Hajar Nejati
Dear WIEN2k developers,  Could anyone please explain to me the role of spin-orbit in L2,3 (or M4,5) ELNES calculations? In particular, suppose I am trying to get L2,3 ELNES of  non-magnetic compounds. Does ELNES know about spin-orbit coupling and L2 vs. L3? In other words, how can I get the corr

Re: [Wien] Error in lapw2 running in the LDA+U calculation in parallel mode

2016-01-02 Thread hassan jamnejad
Dear wien users, thank for your attention, based on your advise I checked “STDOUT“ and “parallel” files . Below is the details . *STDOUT* . . . STOP LAPW1 END real0m5.669s user 0m16.792s sys 0m0.992s STOP LAPW2 - FERMI; weighs written STOP STOP LAPW2 END LAPW2 E