[Wien] x w2w error in WIEN2k.14

[Yue-Wen Fang]

Dear Elias,

Thanks for your reminding me of the errors. Yes, I meant that the
case.psinkup, case.psinkdn, case.psiagraup and case.psiagradn file were
empty, but it was found that case.outputwplotup and case.outputwplotdn
files were not empty.

Actually the error files were also empty. After the execution of the two
commands, it showed that

+ x wplot -wf 2 -up -p
 written on 30Oct2015 at 01:34:44
NON-ORTHOGONAL AXES
0.081u 0.041s 0:00.21 57.1%     0+0k 0+0io 3pf+0w
+ x wplot -wf 2 -dn -p
 written on 30Oct2015 at 02:29:18
NON-ORTHOGONAL AXES
0.089u 0.034s 0:00.19 57.8%     0+0k 0+0io 2pf+0w

In the *:log* file, it was

Fri Oct 30 19:29:23 CST 2015> (x) wplot -wf 2 -up -p
Fri Oct 30 19:29:23 CST 2015> (x) wplot -wf 2 -dn -p

But this tool can work for non-spin polarized calcualtions, e.g. GaAs.

Bests
Fang

2015-10-30 17:00 GMT+08:00 Elias Assmann <elias.assmann at gmail.com>:

> -----BEGIN PGP SIGNED MESSAGE-----
> Hash: SHA1
>
> On 10/30/2015 03:40 AM, Yue-Wen Fang wrote:
> > Step 1. write_inwplot
> >
> > Step 2.  x wplot -wf 1 -up
> >
> > Step 3. x wplot -wf 1 -dn
> >
> > According to the User guide, these three commands should  create
> > case*.psink and case*.psiarg " files, but I found there was no
> > data within these files. Could you show me how to export WF for
> > spin-polarized cases?
>
> Do you mean the files existed but were empty?  Then there must have
> been some error, and you need to include error messages.
>
>         Elias
>
>
> -----BEGIN PGP SIGNATURE-----
> Version: GnuPG v1
> Comment: Using GnuPG with Icedove - http://www.enigmail.net/
>
> iQIcBAEBAgAGBQJWMzGzAAoJEE/4gtQZfOqPenAP/iQbqOv1E1bVA5EZqVQyz6zn
> IzQKts6LmiBefA8BgUqN0PrIxPptC0WdrFy+YSUu/Jua0Q9aFSKwJj0ZfFvhUpNz
> YT7Wjf3TcLShhQhhpAAZOZLMaLpLaTJQ0MY126r4OCOI+LABiGKL7gN76X7fuYi0
> i5Dk8EKFUfylv9kNjnmRHWaLR3jM+Lv715A0lVIgGAPFTtiKaNkPRH870ni+ihse
> fQ67j2UFFY5c5IZ/uo0l8fTZ/ce6vHtPJGxh9Mwpw++0d3Jfi9/XmE9zTZwNgrEk
> sL7YbnSES3LNbNLLxTwjhmElMPo08XeopuXQE3K+DCcG9UBDutBSz+I/R2xKMD/u
> lo86KwpUHzXbygKaYFGKjVEuBpEsoDD0VYFddz6l8Wk+npi0zJ714EZslmN/n1MH
> uEiR4s9nLXSBlg2RyQHiehTAUZULVP3qxRdJjR4/XCKolzJ13I8pUqKLTQXaSD20
> GNGweLtIZ+uTfASbSnV6mZKBootm56zhavmjg3XfHheQ9nLxes4/1kw1WLqS0+rc
> V6ewnHW9ogGkqRGwXgNj8ACJAjbIZIT748Y5CBogkpI62JS+1GDv8SjZ5Av4564m
> 1t+2Ta4EWRt2TgBMubMHhgxplZfqhg5owABO6i3zI1tO1unDbhsngc1sLza+HeVA
> tjKnOPe/sCWiCrDyDrKV
> =E5uQ
> -----END PGP SIGNATURE-----
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:
> http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
>



-- 
------------------------------------------------------------------------------------------------------------
Yue-Wen FANG, PhD candidate
East China Normal University  <http://english.ecnu.edu.cn/>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20151030/237f31c0/attachment.html>