[Wien] fixed magnetic moment calculation (FSM)

[蔡 孟秋]

Dear Jorissen Kevin:
    I have corrected the runfsm_lapw script as you teach: "#!/bin/csh -xf " 
in the first line. But when I run the command "runfsm_lapw -m -i 50 -p", 
however, It also give the error warning: the required file *.in2cup can not 
be found and stop.
     Can any wien user help me?
Sincerely yours!
 Meng-Qiu Cai
E-mail: caimengqiu at hotmail.com


>From: "Jorissen Kevin" <Kevin.Jorissen at ua.ac.be>
>Reply-To: wien at zeus.theochem.tuwien.ac.at
>To: <wien at zeus.theochem.tuwien.ac.at>
>Subject: RE: [Wien] fixed magnetic moment calculation (FSM)
>Date: Wed, 19 Jan 2005 12:15:22 +0100
>
>These files should be produced by the very first (executable) part of 
$WIENROOT/runfsm_lapw (section beginning with start: ).
>
>As for the -x, that is to be put in :
>#!/bin/csh -xf
>
>Apparently, the program doesn't get to that point?
>
>I think there is an error in your calling sequence : you should use -i 50, 
not -I 50.
>do runfsm -h to see all the options.
>
>
>Kevin Jorissen
>
>EMAT - Electron Microscopy for Materials Science   
(http://webhost.ua.ac.be/emat/)
>Dept. of Physics
>
>UA - Universiteit Antwerpen
>Groenenborgerlaan 171
>B-2020 Antwerpen
>Belgium
>
>tel  +32 3 2653249
>fax + 32 3 2653257
>e-mail kevin.jorissen at ua.ac.be
>
>
>________________________________
>
>Van: wien-admin at zeus.theochem.tuwien.ac.at namens ? ??
>Verzonden: wo 19-1-2005 4:49
>Aan: wien at zeus.theochem.tuwien.ac.at
>Onderwerp: [Wien] fixed magnetic moment calculation (FSM)
>
>
>
>Dear prof. P. Blaha and wien user:
>
>      I am running the fixed magnetic moment calculation (FSM) "
>runfsm_lapw -m 1.0 -I 50 -p ".It will stop at the first "lapw1 -up"
>and give the errop warning: the required file *.in2cup can not be found. I
>check my case.in2c file. The content is ok. Evidently, the part of the
>runfsm script which should prepare in2up/in2dn files does not work. I am
>working in the machine of ORIGIN SGI 3800 and running csh shell.
>
>I check the previous mail-list. Professor P.Blaha sugggested "add -x in
>the first line of runfsm_lapw for debugging". I do not know that where I
>should add -x in the runfsm_lapw script. The first lines of the
>runfsm_lapw script is :
>
>#!/bin/csh -f
>hup
>
>unalias rm
>
>set name  = $0
>set bin   = $name:h             #directory of WIEN-executables
>if !(-d $bin) set bin = .
>set name  = $name:t             #name of this script-file
>set logfile = :log
>set tmp   = (:$name)            #temporary files
>
>
>   May be I am foolish!
>
>Thank you in advance!
>
>
>
>Sincerely yours!
>  Meng-Qiu Cai
>E-mail: caimengqiu at hotmail.com
>
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