[Wien] mBJ

[Mohammed Abujafar]

Dear Tran and WIEN2k users,I have followed the procedure mentioned in the manual step by step.I have an old version.For sure I have run a regular initialization and scf cycle using LDA.I have generated the files  case.inm_vresp and case.r2v too.I have run one more scf-cycle without errors in order to generate case.vresp* files and no errors shown up.To save LDA calculations I did "save_lapw -d pbe". After that I edit indxc=28 in the file case.in0 and then I did "cp case.in0 case.in0_grr" and change indxc in case.in0_grr to 50.At the end I have run another scf cycle and I got the following:[mabujafar at localhost ScN-3]$ run_lapw -NI -i 1 LAPW0 ENDforrtl: severe (24): end-of-file during read, unit 28, file /home/mabujafar/WIEN2k/ScN-3/ScN-3.vrespsumImage              PC        Routine            Line        Source             lapw0              080FFF40  Unknown               Unknown  Unknownlapw0              080FE7D1  Unknown               Unknown  Unknownlapw0              080D346A  Unknown               Unknown  Unknownlapw0              080AB5C2  Unknown               Unknown  Unknownlapw0              080BBA0D  Unknown               Unknown  Unknownlapw0              080779B2  Unknown               Unknown  Unknownlapw0              08049C36  Unknown               Unknown  Unknownlibc.so.6          00642E16  Unknown               Unknown  Unknownlapw0              08049B61  Unknown               Unknown  Unknown
>   stop error
You are right, the file case.vrespsum is still empty.How can I fix it?Thanks a lot for your answer.With best regardsMohammed

 
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20141030/df2e30e9/attachment.html>