[Wien] Problem with plotting Electron Density
Mojtaba AlaviSadr (Zareii)
smojtaba.zareii at gmail.com
Mon Feb 3 18:00:49 CET 2014
Dear wien2k users
I am going to plot "Electron Density" for my compound, i.e. Gd5Si4. I could
plot its "Density of States (DOS)" successfully, but I have a problem with
plotting "electron density".
For plotting "electron density", I did the following steps:
1-Click on "El. Dense."
2- Peruse "case.scf1" and then "case.scf2".
3- Chose "Emin=-1 eV" and then click on "x lapw2"
But after a few second, the program stopped working and the following error
was appeared:
Commandline: x lapw2 -emin -1.0 -up
Program input is: " "
forrtl: severe (24): end-of-file during read, unit 1001, file
/home/nsc/WIEN2k/momeni/Gd5Si4_32/031
Image PC Routine Line
Source
lapw2 000000000053BDFA Unknown Unknown Unknown
lapw2 000000000053A975 Unknown Unknown Unknown
lapw2 00000000004DF696 Unknown Unknown Unknown
lapw2 000000000049C456 Unknown Unknown Unknown
lapw2 000000000049BBC9 Unknown Unknown Unknown
lapw2 00000000004BB9D3 Unknown Unknown Unknown
lapw2 000000000047A47B outp_ 180 outp.f
lapw2 000000000046BDFA l2main_ 1973
l2main_tmp_.F
lapw2 0000000000474C8C MAIN__ 564
lapw2_tmp_.F
lapw2 0000000000403CCC Unknown Unknown Unknown
libc.so.6 0000003133C1ECDD Unknown Unknown Unknown
lapw2 0000000000403BC9 Unknown Unknown Unknown
706.505u 5.029s 11:53.95 99.6% 0+0k 58952+3984io 50pf+0w
error: command /softs/wien11/lapw2 uplapw2.def failed
-----------------------------------
As shown, it seems that file "031" causes error. I found that this file was
created during performing above steps, but it was empty.
I before could plot "Electron Density" for other samples, but for this
sample I don't know how to solve the problem.
Cloud you please help me with this problem?
Thank you,
M. Zareii
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20140203/3f912f86/attachment.htm>
More information about the Wien
mailing list