[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
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