Dear Dr. Tran and Dr. G.Abo
Thank you for your reply.
I noticed in :log that it has already completed with "Sat Dec 8 19:20:32 EST
2018> (x) lapw2 -all .5671450153 .5672550153"
Thank you
Shyam
On Sunday, December 9, 2018 9:45 AM, Gavin Abo wrote:
FYI, that error is probably
-12-09 13:56, shaymlal dayananda wrote:
Date: Sun, 9 Dec 2018 13:56:54
From: shaymlal dayananda
Reply-To: A Mailing list for WIEN2k users
To: A. Mailing List for WIEN2k Users
Subject: Re: [Wien] GLLB-SC potential
Dear Dr. Tran
I have a follow up question about the script you have provided
LB-SC calculation
4) For metals (like TiC) run_deltagllb_lapw is useless because the
discontinuity is zero.
F. Tran
On Friday 2018-12-07 22:14, shaymlal dayananda wrote:
>Date: Fri, 7 Dec 2018 22:14:39
>From: shaymlal dayananda
>Reply-To: A Mailing list for WIEN2k users
>To: A Mailing list for
t;-cc ..." for the GLLB calculation.
"-so" can be used with "-gllb", but not "-orb".
On Sunday 2018-12-09 01:39, shaymlal dayananda wrote:
Date: Sun, 9 Dec 2018 01:39:43
From: shaymlal dayananda
Reply-To: A Mailing list for WIEN2k users
To: A Mailing list
is useless because the
discontinuity is zero.
F. Tran
On Friday 2018-12-07 22:14, shaymlal dayananda wrote:
>Date: Fri, 7 Dec 2018 22:14:39
>From: shaymlal dayananda
>Reply-To: A Mailing list for WIEN2k users
>To: A Mailing list for WIEN2k users
>Subject: Re: [Wien] GLLB-SC pote
ananda wrote:
Date: Fri, 7 Dec 2018 22:14:39
From: shaymlal dayananda
Reply-To: A Mailing list for WIEN2k users
To: A Mailing list for WIEN2k users
Subject: Re: [Wien] GLLB-SC potential
Dear Dr. Tran or any developer/user
I am trying to learn GLLB calculation. So far I have doe only PBE/PBE
Dear Dr. Tran or any developer/user
I am trying to learn GLLB calculation. So far I have doe only PBE/PBESol/LDA
calculations only. I followed the user guide (18.2 version) "4.5.11 GLLB-SC
method" section. I followed the following steps with TiC structure.
1. After creating the structure, I
Maybe it is a problem with your csh (or tcsh) version or the script when
copied might have gotten corrupted.
You might try "dos2unix run_deltagllb_lapw" [1,2] on the script if you
haven't already tried it to see if it helps or not.
You could also try the run_deltagllb_lapw.patch file at [3],
Dear Professor;
I used this file but I got the following errors:
:command not found.
:command not found.
:command not found.
set: Variable name must contain alphanumeric characters.
I tried to see what the error was but I could not correct them
Le dim. 25 nov. 2018 à 18:12, a écrit :
> Dear
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