The first point is interesting as I faced that problem recently, too. The problem was solved after I cleaned the complete directory (I deleted all files by hand, clean_lapw did not help). As it appeared only once, I thought that this is just a follow-up error caused by some accidential mistake I made in one of the input files.
2, 3) Did you do a calculation of the band structure before running dos or optic ? In that case you need to do a single cycle scf-calculation to have the correct vectorfiles back again (see manual). Ciao Gerhard ________________________________________ Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at] im Auftrag von azar hadidi [k_hadidi3x at yahoo.com] Gesendet: Donnerstag, 21. August 2008 08:55 An: wien at zeus.theochem.tuwien.ac.at Betreff: Re: [Wien] Wien Digest, Vol 39, Issue 3 Dear Users I do optic calc. for MgB2, and faced to many errors and problems. 1) when I do initial calc. I enter 2000 k-points, but there is 1 k-point in klist-file. this problems sometimes is appeared, and when I do again, it vanished. 2) when DOS calculation, in x-tetra below massage is appeared: input/output Error 153: input file ended In precedure: main program At line: 113 statement: luist.Directed read unit:5 connected to: MgB2-int Form: formatted Access :sequential Records Read:29 Records written: e error: command / root / wien2k / tetra tetra.def failed there isnt such a file 3) when I do optic calc. (x-lapw-fermi) this error is appeared: 'fermi' -number of k-points inconsistent when reading kgen 'fermi' -check IN1 and kgen files! when scf-run, the number of cycle is much less in comparison formerly.I guess for this reason, these errors is appeared. Please guide me. Hadidi
