thank you for the solution but there is another problem when he optimize I lanch this point -10 -5 0 5 10 in example Tic S.vns -> ./S_vol_-10.0_default.vns S.vnsup -> ./S_vol_-10.0_default.vnsup S.vnsdn -> ./S_vol_-10.0_default.vnsdn S.r2v -> ./S_vol_-10.0_default.r2v S.r2vdn -> ./S_vol_-10.0_default.r2vdn
broyden files deleted, clm*, dmat*, vorb*, vresp*, eece*, vsp*, vns*, scf, struct and input files saved under ./S_vol_-10.0_default running dstart in single mode STOP DSTART ENDS 3.3u 0.0s 0:03.40 99.7% 0+0k 0+392io 0pf+0w 0.0u 0.0s 0:00.05 100.0% 0+0k 0+352io 0pf+0w clmextrapol_lapw has generated a new S.clmsum hup: Command not found. STOP LAPW0 END STOP LAPW1 END STOP LAPW2 END STOP CORE END At line 1015 of file mixer.F (unit = 22, file = 'S.scf') Fortran runtime error: Sequential READ or WRITE not allowed after EOF marker, possibly use REWIND or BACKSPACE > stop error ERROR status in S_vol__-5.0 2016-01-20 2:00 GMT+01:00 Gavin Abo <[email protected]>: > The WIEN2k program needs the case directory and files in it (like > case.struct) to have the same name [ > http://zeus.theochem.tuwien.ac.at/pipermail/wien/2007-May/009136.html ]. > > In your post, it looks like you have the following. > > case directory: WIEN2k > file: GaAs.struct > > However, it needs to be: > > case directory: GaAs > file: GaAs.struct > > You also have to be careful, because Linux is case sensitive [ > http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg05727.html > ]. > > On 1/19/2016 6:48 AM, said chibani wrote: > > Dear WIEN2K users I'm new in wien2k, when I tried the the example of > GaAS, but it doesn't work > > :~/WIEN2k$ ./GaAs.struct > bash: ./GaAs.struct: Permission denied > said@said-S:~/WIEN2k$ x nn > specify nn-bondlength factor: (usually=2) [and optionally dlimit, dstmax > (about 1.d-5, 20)] > 2 > At line 123 of file nn.f (unit = 20, file = 'WIEN2k.struct') > Fortran runtime error: End of file > 0.0u 0.0s 0:01.89 0.0% 0+0k 0+0io 0pf+0w > error: command /home/said/Documents/nn nn.def failed > I could not solve this problem give me a solution at this problem > > 2015-12-23 12:08 GMT+01:00 said chibani <[email protected]>: > >> - I am running wien2k version 14.2 on a system of type ubunto 12-04 LTS >> >> I'm a new user of WIEN2k. I installed WIEN2k in ubuntu 12.04 >> >> I tried the TiC calculation, but it doesn't work. >> When I click the "x dstart" on the page of "initialize calculation" >> this is displayed. >> error: command /home/said/WIEN2k/dstart dstart.def failed >> Then I open "view TiC.outputd and cp TiC.in0_std TiC.in0", >> and there is >> System Error >> Can't read file //home/said/WIEN2k/TiC/TiC.outputd >> I could not solve this problem by myself. Please help me >> > > _______________________________________________ > Wien mailing list > [email protected] > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: > http://www.mail-archive.com/[email protected]/index.html > >
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