[Wien] Still problem with CLMSUM

[Michael Gurnett]

I'm recompiling as I type this. It still seems to be a problem with the
clmsum file much like before with the following problem

MIXED TOTAL CHARGE DENSITY IN INTERSTITIAL   NEW TOTAL CHARGE DENSITY

            1616829 NUMBER OF PW
       0    0    0 NaN                NaN                NaN        NaN       
       0    0   -1 NaN                NaN                NaN        NaN       
       0    0    1 NaN                NaN                NaN        NaN       
       0    0   -2 NaN                NaN                NaN        NaN       
       0    0    2 NaN                NaN                NaN        NaN       
    
So I'm guessing that it's not a problem with lapw0

Michael

On Sat, 2006-03-11 at 07:58 -0600, L. D. Marks wrote:
> You are not providing enough information
> a) Recompile lapw0 with -tracebak
> b) Look at the output, and find the relevant line in the code
> c) Look at case.scf0, case.output0 etc
> d) Look at case.clmsum
> 
> On Sat, 11 Mar 2006, Michael Gurnett wrote:
> 
> > Ran the new version of Wien2k. This occurs directly at the start of the
> > second cycle. What is happening
> >
> >>>> (min) status after run_lapw -I -i 40 -fc 1.0 -p \: 9 -> exit
> > lapw0              0000000000403E29  Unknown               Unknown  Unknown
> > libc.so.6          000000351E01C3CF  Unknown               Unknown  Unknown
> > lapw0              0000000000403EEA  Unknown               Unknown  Unknown
> > lapw0              00000000004282A9  Unknown               Unknown  Unknown
> > lapw0              0000000000481664  Unknown               Unknown  Unknown
> > lapw0              00000000004709CC  Unknown               Unknown  Unknown
> > lapw0              0000000000470D63  Unknown               Unknown  Unknown
> > lapw0              000000000049930C  Unknown               Unknown  Unknown
> > lapw0              00000000004B52DE  Unknown               Unknown  Unknown
> > lapw0              00000000004B757B  Unknown               Unknown  Unknown
> > Image              PC                Routine            Line        Source
> > forrtl: severe (64): input conversion error, unit 8, file /home/Michael/Wien2k/HCT-Lisqrt3/HCT-Lisqrt3.clmsum
> > in cycle 2    ETEST: 84.5785025000000000   CTEST: .3760374
> > ec cc and fc_conv 1 1 0
> >
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> Note: if you have an old email address for me, please note that "nwu" has
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> -----------------------------------------------
> Laurence Marks
> Department of Materials Science and Engineering
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