[Wien] I do not find the script of opticcpara
Stefaan Cottenier
Stefaan.Cottenier at fys.kuleuven.be
Mon Jul 23 17:49:22 CEST 2007
I have no experience at all with the optic part, but indeed I observe
something strange:
'which optic' returns $WIENROOT/optic
'which opticc' returns $WIENROOT/opticc
'x optic -h' returns in the last line 'x optic [-c -up/-dn -so -p]'
'x opticc -h' returns a general output, as the x-script does not seem to
recognize 'opticc'.
I guess there is a small bug in the script x_lapw? Search in that
direction to solve your problem (compare with an older version if it
worked correctly there?)
Stefaan
蔡 孟秋 wrote:
>Dear P.Blaha and Stefaan Cottenier :
> I use the new wien2k_07 in in the IBM p690 with AIX 5.2, I compile it
>successfully, But when I calculate the optical properties with LSDA+so, I
>meet wit a error when I perform x opticc -so -up -p . The error information
>is : opticcpara is not be found. Indeed, I do not finf the script of
>opticcpara, but opticpara.
> My action is :
> runsp_lapw -so -orb -p
>x kgen (with many k mesh)
>edit case.in2c to fermi
>runsp_lapw -so -orb -s lapw1 -e lcore -p
>x opticc -so -p
>
>then the error come : opticcpara is not be found
>
>
>Could you give me some suggestion?
>
>Thank you in advance!
>
>Cai
>
>_________________________________________________________________
>享用世界上最大的电子邮件系统― MSN Hotmail。 http://www.hotmail.com
>
>_______________________________________________
>Wien mailing list
>Wien at zeus.theochem.tuwien.ac.at
>http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
>
Disclaimer: http://www.kuleuven.be/cwis/email_disclaimer.htm
More information about the Wien
mailing list