Search found 12 matches

by shalom
Mon Mar 18, 2019 2:55 am
Forum: Ground state
Topic: output file of total energy vs acell
Replies: 4
Views: 2006

Re: output file of total energy vs acell

Dear Mr BAMGBOSE, M. K.
It would be very beneficial if you presented us the input file. cordially ...
by shalom
Thu Nov 29, 2018 2:03 pm
Forum: Ground state
Topic: Band structure of Kesterites Cu2ZnSnS4 ? [SOLVED]
Replies: 6
Views: 1911

Re: Band structure of Kesterites Cu2ZnSnS4 ? [SOLVED]

Dear new_986
What value did you use for nband ?
cordially.
by shalom
Mon Oct 22, 2018 7:06 pm
Forum: Ground state
Topic: Trying to calculate DOS for Ce4O8
Replies: 1
Views: 1425

Re: Trying to calculate DOS for Ce4O8

Me too ...
I tried to trace the DOS folder as in the PAW1 tutorial ... but I get really nothing but what was plotted in this tutorial.
Help me please ...
Shalom
by shalom
Tue Sep 04, 2018 7:35 pm
Forum: Improving ABINIT
Topic: Lessons Many-Body Bethe-Salpeter
Replies: 1
Views: 1262

Re: Lessons Many-Body Bethe-Salpeter

Good evening friends abiniters. I started a calculation to check the BS method by following the Bethe-Salpeter Lessons Many-Body tutorial for silicon. I fixed ndtset == 5. The calculation did not run the desired time because it stopped and see what I get in the log file: FFT mesh divisions ............
by shalom
Tue Sep 04, 2018 4:40 pm
Forum: Improving ABINIT
Topic: Lessons Many-Body Bethe-Salpeter
Replies: 1
Views: 1262

Lessons Many-Body Bethe-Salpeter

Hello dear friends abniter. I have a small problem. I have redone the BS test with silicon. In point 3, we should get 5 files tbs_3o_DS but I get only 2, the DS1 and DS2 but not the others. I do not understand, help me please.
by shalom
Tue Sep 04, 2018 4:33 pm
Forum: Many-body perturbation theory
Topic: Bethe-Salpeter calculations (Segmentation fault)
Replies: 1
Views: 2803

Re: Bethe-Salpeter calculations (Segmentation fault)

Hello dear friends abniter. I have a small problem. I have redone the BS test with silicon. In point 3, we should get 5 files tbs_3o_DS but I get only 2, the DS1 and DS2 but not the others. I do not understand, help me please.
by shalom
Fri Dec 08, 2017 10:12 pm
Forum: Many-body perturbation theory
Topic: problem ,gw1 tutorial... emergency
Replies: 9
Views: 3933

Re: problem ,gw1 tutorial... emergency

Here is the file tgw1_1.out that I got.
Help me I do not understand.
by shalom
Fri Dec 08, 2017 9:48 pm
Forum: Many-body perturbation theory
Topic: problem ,gw1 tutorial... emergency
Replies: 9
Views: 3933

Re: problem ,gw1 tutorial... emergency

Good evening friends.
My problem is that I try to do the test with the input file tgw1_1.in but I do not get the same results because those of my file tgw1_1.out are different from those given in the Refs folder. I do not understand then that I did not change anything ... Explain me.
by shalom
Fri May 26, 2017 12:36 am
Forum: Ground state
Topic: input file for doped ZrO2 2*2*2 supercell
Replies: 5
Views: 3146

Re: input file for doped ZrO2 2*2*2 supercell

Hi, Abinit users...
I want to know:
With abinit How to write a input file of entrance for the thiophen C4H4S for the calculation of its structure of band ?
thank you!
by shalom
Thu Mar 16, 2017 2:06 pm
Forum: Link to other codes
Topic: GaAs wurtzite
Replies: 21
Views: 12887

Re: GaAs wurtzite

Hi Abinit forum user,
I followed with large interet all your development.
I also am a new user of abinit.
I would like to know how you threw the code,
and which of the code you launched and what is its .files file that you considered?
by shalom
Thu Mar 02, 2017 1:03 am
Forum: Link to other codes
Topic: GaAs wurtzite
Replies: 21
Views: 12887

Re: GaAs wurtzite

Hi aaaa202.
I followed with large interet all your development.
I also am a new user of abinit.
I would like to know how you threw the code,
and which of the code you launched and what is its .files file that you considered?
by shalom
Wed Mar 01, 2017 5:11 pm
Forum: Link to other codes
Topic: InAs band structure
Replies: 18
Views: 14543

Re: InAs band structure

Hello aaaa2.
I have followed your whole discussion.
I am also a nurse in this work of Abinit.
I just want to know how you run the code,
with which .files file and with what command?