Bug fix information

Posted on : July 07, 2010 (Wed) 00:09:37

by H. Akai

Dear All Users of AkaiKKR (Machikaneyama),

recently we have found some bugs in AkaiKKR package.
Please reupload the corrected one (cpa2002v008b, cpa2002v009, cpa2002v009b, or cpa2002v009c), or correct the source files yourself according to the following information.

Your sincerely
H. Akai

----- Bug information ------

1) (serious bug when you output the Bloch spectrum functions of alloys)
In source/specx.f, find a block

..........
else if(go .eq. 'spc') then
c --- Bloch spectral functions are output
c --- display the result without any iteration process.
c record='2nd'
outtyp='quit'
bzqlty='0'
ids=4
maxitr=1
mse=msex
........

Delete the line
bzqlty='0'
in the block. The block then becomes

..........
else if(go .eq. 'spc') then
c --- Bloch spectral functions are output
c --- display the result without any iteration process.
c record='2nd'
outtyp='quit'
ids=4
maxitr=1
mse=msex
........

2) (not a serious bug) In spmain.f, find lines

........
character type(ntyp)*8,atmtyp(natm)*8,atmicv(3,natm)*24
& ,go*3,file*36,brvtyp*3,reltyp*6,sdftyp*12,magtyp*4
& ,outtyp*6,title*300,token*80
& ,bzqlty*4,record*4,bravai*3,status*2
& ,cwtyp*4,today*9,logfil*48,inffil*48,spcfil*48
........

Correct today*9 as today*11.
This part now becomes

........
character type(ntyp)*8,atmtyp(natm)*8,atmicv(3,natm)*24
& ,go*3,file*36,brvtyp*3,reltyp*6,sdftyp*12,magtyp*4
& ,outtyp*6,title*300,token*80
& ,bzqlty*4,record*4,bravai*3,status*2
& ,cwtyp*4,today*11,logfil*48,inffil*48,spcfil*48
........

3) (applicable to cpa2002v00b and later, moderately serious bug)

In redata.f, find a line
call errtrp(1,redata,'illegal format found in buffer')

Correct the line as
call errtrp(1,'redata','illegal format found in buffer')