[Wien] Fermi surface plotting with xcrysden

Laxmidhar Senapati senapl at holmium.cchem.berkeley.edu
Thu Nov 13 20:27:47 CET 2003


Hi,
  While running the wien2k [w2web mode] for calculating electron density,
I found these problems. I could not figure out much. Can anyone help me in
resolving this?

Commandline: x lapw2
Program input is: ""
PGFIO-F-217/unformatted read/unit=10/attempt to read past end of file.
 File name = ./tic.vector    unformatted, sequential access   record = 1
 In source file atpar_tmp_.F, at line number 44
0.020u 0.000s 0:00.01 200.0%    0+0k 0+0io 229pf+0w

and

Commandline: x lapw5
Program input is: ""

PGFIO-F-217/formatted read/unit=9/attempt to read past end of file.
 File name = tic.clmval    formatted, sequential access   record = 1
 In source file main1.f, at line number 306
0.000u 0.010s 0:00.00 0.0%      0+0k 0+0io 184pf+0w


Thanks
Lax


Laxmidhar Senapati
University of california, Berkeley
Department of chemistry
Whaley Group
406 Latimer Hall#1460
Berkeley,CA 94720-1460
USA
Ph: 510-643-7128(O)
Fax:510-643-0003(O)

On Thu, 13 Nov 2003, Peter Blaha wrote:

> > Thanks for your message.
> > But for 3D fermi surface plotting, that is not the
> > case. One can not find the "print" option. It is
> > strange.
>
> Make a "screen shot". Use e.g.   gimp
>
>                                       P.Blaha
> --------------------------------------------------------------------------
> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
> Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
> --------------------------------------------------------------------------
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