Dese Gabin: I didn't craeate manually the aim.def. First I tried by using
$ x aim Then it was automatically generated but giving the same mistake. Then I tried: $ x aim -d To generate the aim.def and then run ir. But the mistake was the same in either case: ERROR IN OPENING AIM.DEF AIM.DEF Thank you for answering! Have you another suggestion of what may be possibly wrong? Greetings Bruno Enviado desde mi iPhone > El 18/09/2015, a las 13:59, Gavin Abo <gs...@crimson.ua.edu> escribió: > > If $ is the bash terminal. > > It seems like you might have just did (while in the case directory): > > $ aim > > However, if you see the WIEN2k 14.2 usersguide on page 134 in section "8.1.1 > Execution" [ http://www.wien2k.at/reg_user/textbooks/usersguide.pdf ]. The > command needs to be: > > $ x aim > > or > > Real: $ aim aim.def > Complex: $ aimc aim.def > > "x aim" should automatically create aim.def. Since you manually created > aim.def, I assume that you are using "aim[c] aim.def". So check if the name > of the file in the directory (aim.def) and command (aim aim.def) are > consistent. In Linux, case sensitivity can be important. For example, > aim.def (with lowercase letters) and AIM.DEF (with uppercase letters) are > considered different. > >> On 9/18/2015 11:25 AM, Bruno Landeros wrote: >> Dear users: >> >> I'm having trouble when I try to run the aim module. >> >> I have already created the aim.def file which looks like this >> >> 5 ,'hpn_final_converged.inaim', 'old', 'formatted',0 >> 6 ,'hpn_final_converged.outputaim', 'unknown','formatted',0 >> 8 ,'hpn_final_converged.struct', 'old', 'formatted',0 >> 9 ,'hpn_final_converged.clmsum', 'old', 'formatted',0 >> 21,'hpn_final_converged.surf', 'unknown','formatted',0 >> 22,'hpn_final_converged.crit', 'unknown','formatted',0 >> 77,'hpn_final_converged.aim_surface_errors', 'unknown','formatted',0 >> >> But when I execute the program I get always the same error: >> >> >> >> ERROR IN OPENING AIM.DEF !!! >> >> AIM.DEF >> >> >> The three files needed hpn_final_converged.struct, >> hpn_final_converged.clmsum and hpn_final_converged.inaim are present. >> For the last one I'm using the same as the manual's example: >> >> CRIT >> 1 >> ALL >> 3 3 3 >> END >> >> What can possibly be wrong? >> >> >> Thanks in advance, >> >> Bruno L > _______________________________________________ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: > http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
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