excitingdft

Contact owners and managers

1–30 of 37

Dear Exciting user

The discussion of this forum has moved to the following website: http://exciting-code.org/forum:start

Please, feel free to send there all your questions and comments.

Best regards.

0 selected

11/20/13

Calculating core level EELS of doped nanocarbons?

Dear exciters, I am involved in research on nanocarbon systems, specifically graphene and carbon

unread,

Calculating core level EELS of doped nanocarbons?

Dear exciters, I am involved in research on nanocarbon systems, specifically graphene and carbon

11/20/13

Sushil Auluck, DibyaR Prakash3

11/14/13

serial vs parallel

Respected Sir I am extremely sorry to burden you. I have a problem with the calculation of systems

unread,

serial vs parallel

Respected Sir I am extremely sorry to burden you. I have a problem with the calculation of systems

11/14/13

11/14/13

Dear Exciting Users I am extremely sorry to burden you. I have a problem with the calculation of

unread,

Dear Exciting Users I am extremely sorry to burden you. I have a problem with the calculation of

11/14/13

11/12/13

Compilation error

Hello everyone (exciting) Dear all I have encounter the following errors while compiling exciting-

unread,

Compilation error

Hello everyone (exciting) Dear all I have encounter the following errors while compiling exciting-

11/12/13

11/12/13

Compilation error

Hello everyone (exciting) Dear all I have encounter the following errors while compiling exciting-

unread,

Compilation error

Hello everyone (exciting) Dear all I have encounter the following errors while compiling exciting-

11/12/13

10/25/13

compilation error

Dear Exciting User I have encounter the following errors while compiling Exciting code in parallel

unread,

compilation error

Dear Exciting User I have encounter the following errors while compiling Exciting code in parallel

10/25/13

10/25/13

error in volume optimization

Hello Exciting user I am a beginner just trying to learn this code. I have tried some examples

unread,

error in volume optimization

Hello Exciting user I am a beginner just trying to learn this code. I have tried some examples

10/25/13

1/31/13

check it out http://bit.ly/UGaTFr Hajar

unread,

check it out http://bit.ly/UGaTFr Hajar

1/31/13

1/30/13

check it out http://bit.ly/TUSOWj Hajar

unread,

check it out http://bit.ly/TUSOWj Hajar

1/30/13

Abdeslam Houari

12/18/12

Compilation error

Dear Exciting Users and Developers; I'm a young researcher from university of Bejaia, Algeria. I

unread,

Compilation error

Dear Exciting Users and Developers; I'm a young researcher from university of Bejaia, Algeria. I

12/18/12

Natalie Holzwarth, Pablo García Risueño6

11/28/12

Comparison of results from exciting and wien2k

Dear Pablo, Thanks for your suggestion. For exciting, I used the species file from the download tar

unread,

Comparison of results from exciting and wien2k

Dear Pablo, Thanks for your suggestion. For exciting, I used the species file from the download tar

11/28/12

Holzwarth, Natalie

11/28/12

Re: Comparison of results from exciting and wien2k-- corrected figure attached

My apologies. The correct figure comparing exciting and wien2k is attached to this email. NAW

unread,

Re: Comparison of results from exciting and wien2k-- corrected figure attached

My apologies. The correct figure comparing exciting and wien2k is attached to this email. NAW

11/28/12

9/6/12

Ifort compilation error

Hi all, I am getting following error while compiling the code which uses the Petsc and Lis package as

unread,

Ifort compilation error

Hi all, I am getting following error while compiling the code which uses the Petsc and Lis package as

9/6/12

7/27/12

Simple 3C-SiC ground state

Hi... no-one who can help here? On Friday, July 6, 2012 5:16:26 PM UTC+2, Fabio Fumi wrote: I'm

unread,

Simple 3C-SiC ground state

Hi... no-one who can help here? On Friday, July 6, 2012 5:16:26 PM UTC+2, Fabio Fumi wrote: I'm

7/27/12

5/21/12

Band energies in exciting BXSF files

Dear exciting experts, I have developed an algorithm for analyzing band energies in order to extract

unread,

Band energies in exciting BXSF files

Dear exciting experts, I have developed an algorithm for analyzing band energies in order to extract

5/21/12

chen peng, … Peng Chen3

5/11/12

Structure change

Hi Christian, The atom positions change. Eg in the input.xml, the Ni atoms are in the (0,0,0), (0.5,

unread,

Structure change

Hi Christian, The atom positions change. Eg in the input.xml, the Ni atoms are in the (0,0,0), (0.5,

5/11/12

5/2/12

Dear exciting team I want to calculate nonlinear optical properties of materials with NLO package.

unread,

Dear exciting team I want to calculate nonlinear optical properties of materials with NLO package.

5/2/12

4/12/12

Magneto-optics and dielectric tensor with exciting

Dear exciting team, I'd like to know whether it is possible to calculate magneto-optical

unread,

Magneto-optics and dielectric tensor with exciting

Dear exciting team, I'd like to know whether it is possible to calculate magneto-optical

4/12/12

3/6/12

Compilation feedback

Hi all, I am installing He-3 and ran into a few compilation issues - small issues, but took me some

unread,

Compilation feedback

Hi all, I am installing He-3 and ran into a few compilation issues - small issues, but took me some

3/6/12

3/2/12

Generating crystal.xsf file which can be visualized by XCrysDen program

Hi Christian, One more question: how to generate crystal.xsf file which can be visualized by XCrysDen

unread,

Generating crystal.xsf file which can be visualized by XCrysDen program

Hi Christian, One more question: how to generate crystal.xsf file which can be visualized by XCrysDen

3/2/12

Huskier, Christian3

3/2/12

ERROR for generating supercell using spacegroup program

Thank you very much, Christian. It does work once I resolved the following error by adding the title

unread,

ERROR for generating supercell using spacegroup program

Thank you very much, Christian. It does work once I resolved the following error by adding the title

3/2/12

Christian Meisenbichler, … Christian3

11/28/11

Apparently attachments do not work on this mailing list. I am sorry. On Nov 21, 10:06 pm, thomas

unread,

Apparently attachments do not work on this mailing list. I am sorry. On Nov 21, 10:06 pm, thomas

11/28/11

11/6/10

compilation error

I have tried to compile EXCITING with ifort on two different machines. However I got the same error

unread,

compilation error

I have tried to compile EXCITING with ifort on two different machines. However I got the same error

11/6/10

10/11/10

exciting Deuterium

We are happy to present you the first exciting isotope, deuterium. http://exciting-code.org/deuterium

unread,

exciting Deuterium

We are happy to present you the first exciting isotope, deuterium. http://exciting-code.org/deuterium

10/11/10

3/1/10

Charged cells -- bad formation energies

Dear exciting developers, I'm trying to calculate the formation energies of the charge defects (

unread,

Charged cells -- bad formation energies

Dear exciting developers, I'm trying to calculate the formation energies of the charge defects (

3/1/10

Christian Meisenbichler

1/20/10

We have compiled a new report about recent activities and ideas: http://exciting-code.org/jannuary-

unread,

We have compiled a new report about recent activities and ideas: http://exciting-code.org/jannuary-

1/20/10

1/4/10

Sorry for the spam

Sorry for the spam, I changed the mailing list configuration to moderate the first post of a new

unread,

Sorry for the spam

Sorry for the spam, I changed the mailing list configuration to moderate the first post of a new

1/4/10

Jens jørgen mortensen, … Juergen Spitaler14

12/18/09

Adsorption energies

My last email was wrong ... sorry! I checked it again: After all your structure was hcp! I had been

unread,

Adsorption energies

My last email was wrong ... sorry! I checked it again: After all your structure was hcp! I had been

12/18/09

Marcin Dulak, Christian2

11/26/09

RPM of exciting

Dear Marcin, Thank you for the report of your experience. It just reminds me that we are only at the

unread,

RPM of exciting

Dear Marcin, Thank you for the report of your experience. It just reminds me that we are only at the

11/26/09

11/25/09

tests failures on CentOS5.4

Hi, i'm trying exciting.hydrogen.9.10.tar.gz on CentOS 5.4 i686 with g95-0.91. There are tests

unread,

tests failures on CentOS5.4

Hi, i'm trying exciting.hydrogen.9.10.tar.gz on CentOS 5.4 i686 with g95-0.91. There are tests

11/25/09

Search

Clear search

Close search

Google apps

Main menu