[Wien] Problem in lapw5 lapw5.def

hongch hongch at hiroshima-u.ac.jp
Sat Sep 5 18:22:02 CEST 2009


Dear wien2k users:
       I want to plot system Xc potential,so I modified the lapw5.def
file line9 as GGA.r2v, then run lapw5 lapw5.def.
       However wien2k not work, it show as:

[wien2k at localhost GGA]$ lapw5 lapw5.def
forrtl: severe (24): end-of-file during read, unit 9,
file /home/wien2k/work/SrAlGe/GGA/GGA.r2v
Image              PC        Routine            Line
Source             
lapw5              080B6BC3  Unknown               Unknown  Unknown
lapw5              080B61E3  Unknown               Unknown  Unknown
lapw5              0809228A  Unknown               Unknown  Unknown
lapw5              0808B6FA  Unknown               Unknown  Unknown
lapw5              0808B395  Unknown               Unknown  Unknown
lapw5              0806799C  Unknown               Unknown  Unknown
lapw5              0804D37B  main1_                    306  main1.f
lapw5              0804A009  MAIN__                     27  lapw5.f
lapw5              08049C31  Unknown               Unknown  Unknown
libc.so.6          00C7F390  Unknown               Unknown  Unknown
lapw5              08049B41  Unknown               Unknown  Unknown
 

.in5 file
    0    0     1        8
    -16   16     1      8
    16    16     1      8
6 6 6
100 100
RHO NO
ATU VAL NODEBUG
ORTHO


PS: I can execute  X lapw5 to plot electron density with this in5 file
without fault.

lapw5.def


5 ,'GGA.in5', 'old',    'formatted',0
6 ,'GGA.output5',   'unknown','formatted',0
8 ,'GGA.struct',    'old',    'formatted',0
9 ,'GGA.r2v',    'old',    'formatted',0
10,'GGA.tmp',       'unknown','unformatted',0
11,'GGA.clmvaldn',  'unknown','formatted',0
12,'GGA.sigma',     'unknown','formatted',0
20,'GGA.rho_onedim','unknown','formatted',0
21,'GGA.rho',       'unknown','formatted',0

                                         best regard
                                             C.H Hong





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