You have to check for bc on the computer where the calculations run. If
this is a cluster, you may have bc on the frontend, but not on the
compute nodes.
The other error concerns the missing case.rsp
This file is generated during init_lapw (in the x lstart step). You seem
to run the
Dear Professor Laurence Marks, thank you for your support :)
The "BC" program is already installed. I did as you suggested:
-
wanderson@carbonari:~/work1/case$ which bc
/usr/bin/bc
wanderson@carbonari:~/work1/case$ echo $PATH
The min_lapw code is really old, in almost all cases MSR1a is better.
Independent of that, the code tells you the issue "bc: Command not found".
Do you have "bc" installed on your computer? Try "which bc", check "echo
$PATH" or maybe you have a bad csh.
On Wed, Mar 6, 2019 at 12:16 PM Wanderson
Dear users, I have performed successful minimizations, but I have faced
this problem with a specific system:
---
* bla, bla, bla bla*
LAPW2 - FERMI; weights written
LAPW2 END
LAPW2 END
LAPW2
That direction wrong error probably means their is a problem with your
case.in5(c) file with either parameter npy not being greater than 1 or
noorth1 (refer to section 8.14.3 Input for case.in5 in the WIEN2k
usersguide).
On 3/6/2019 2:30 AM, Santanu Pathak wrote:
I am calculating the
I am calculating the electronic structure of oxide material. There's no
error in the scf run and DOS, band structure, optical properties are being
studied. But after following all the steps for Electron Density plot, *a
message 'DIR WRONG'* is coming in *x lapw5* as below.
[image: image.png]
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