[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
More information about the Wien
mailing list