[Wien] "cat: .ieds: No such file or directory" during initso_lapw

[Zhu, Jianxin]

Hi Gavin,

Thanks for taking a look into this.
I will try that.

Regards,

Jianxin

From: Gavin Abo <gsabo at crimson.ua.edu<mailto:gsabo at crimson.ua.edu>>
Reply-To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at<mailto:wien at zeus.theochem.tuwien.ac.at>>
Date: Mon, 11 Mar 2013 07:48:29 -0600
To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at<mailto:wien at zeus.theochem.tuwien.ac.at>>
Subject: Re: [Wien] "cat: .ieds: No such file or directory" during initso_lapw

Line 154 creates the "atom-number, E-param for RLO" lines in case.inso when "a" or "c" is entered, so this line should not be removed. My understanding is that there should be none of these lines when "N" is entered. So you could ignore the error or exclude it by changing line 154 to:

if( $localp != 'n' ) cat .ieds >> $file.inso

On 2/21/2013 1:12 PM, Gavin Abo wrote:
This concerns the make_inso_lapw script in Wien2k 12.1.  The same script file is different in 11.1.

On 2/21/2013 12:40 PM, Zhu, Jianxin wrote:
Dear Peter and Wien2k users,

During the running of initso_lapw, I notice the following if I hit "N" (or choose "no" for all types after hitting "c") in response to

---->Add RLO for NONE, ALL, CHOOSE elements? (N/a/c) : N
cat: .ieds: No such file or directory

Dr. Gavin Abo pointed out ---
This comes from line 154 in the script make_inso_lapw in the $WIENROOT directory.
There is code to create the file on line 143 with an echo command.  However, the goto statement on line 71 always jumps over the code that seems to create it.

My question is:  When NO_RLO is in effect, do we still need the file ".ieds"?
Can I simply comment out the line 154 --

cat .ieds >> $file.inso

?


Thanks,

Jianxin


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