No problem for runsp/min calculations. join_vectorfiles is a utility which combines vectorfiles from a k-point parallel calculation to a "non-parallel" single case.vector file.
Am 20.09.2011 05:12, schrieb Maxim Rakitin: > Dear Prof. Blaha, > What areas can whis bug affect on previous builds? Will it cause any problems > with usual runsp/min_lapw calculations? > Thanks. > Best regards, Maxim Rakitin Email: rms85 at physics.susu.ac.ru Web: > http://www.susu.ac.ru > > 19.09.2011 17:37, Peter Blaha ?????:> Thank's.>> I can confirm the problems > and solution your email.> It will be fixed in the next release.>> Am > 19.09.2011 13:34, schrieb > katrusiat:>> Hi,>>>> I've found a bug in join_vectorfiles (folder SRC_trig). > To remove it, >> do the following replacements:>>>> 1) file util.f, line > 46>>>> > read(unit,"(A16,I2)")dummy,mult ==> read(unit,"(A15,I2)")dummy,mult>>>> 2) > file util.f, line ~ 102>>>> read(unit_struct,"(A16,I2)")dummy,mult ==> >> > read(unit_struct,"(A15,I2)")dummy,mult>>>> Bests, Kateryna Foyevtsova>> > _______________________________________________>> Wien mailing list>> > Wien at zeus.theochem.tuwien.ac.at>> > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien>_______________________________________________Wien > mailing > listWien at > zeus.theochem.tuwien.ac.athttp://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- ----------------------------------------- Peter Blaha Inst. Materials Chemistry, TU Vienna Getreidemarkt 9, A-1060 Vienna, Austria Tel: +43-1-5880115671 Fax: +43-1-5880115698 email: pblaha at theochem.tuwien.ac.at -----------------------------------------
