[Wien] Problem with plotting Electron Density

[Peter Blaha]

Most likely your case,in2 file got wrong (not changed back after DOS.).

Make sure, that case.in does NOT contain "QTL"  as input switch, but 
either TOT or FOR.

Am 03.02.2014 18:00, schrieb Mojtaba AlaviSadr (Zareii):
> 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
>
> ImagePCRoutineLineSource
>
> lapw2000000000053BDFAUnknownUnknownUnknown
>
> lapw2000000000053A975UnknownUnknownUnknown
>
> lapw200000000004DF696UnknownUnknownUnknown
>
> lapw2000000000049C456UnknownUnknownUnknown
>
> lapw2000000000049BBC9UnknownUnknownUnknown
>
> lapw200000000004BB9D3UnknownUnknownUnknown
>
> lapw2000000000047A47Boutp_180outp.f
>
> lapw2000000000046BDFAl2main_1973l2main_tmp_.F
>
> lapw20000000000474C8CMAIN__564lapw2_tmp_.F
>
> lapw20000000000403CCCUnknownUnknownUnknown
>
> libc.so.60000003133C1ECDDUnknownUnknownUnknown
>
> lapw20000000000403BC9UnknownUnknownUnknown
>
> 706.505u 5.029s 11:53.95 99.6%0+0k 58952+3984io 50pf+0w
>
> error: command/softs/wien11/lapw2 uplapw2.deffailed
>
> -----------------------------------
>
> 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
>
>
>
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-- 
Peter Blaha
Inst.Materials Chemistry
TU Vienna
Getreidemarkt 9
A-1060 Vienna
Austria
+43-1-5880115671