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Again Again issue with pawovlp --- Somebody to take this up

Last post by woffermans « Tue Dec 11, 2018 8:34 am
Posted in Input file

by woffermans » Tue Dec 11, 2018 8:34 am » in Input file

0 Replies

777 Views

Last post by woffermans
Tue Dec 11, 2018 8:34 am
Relate to the PhonTS: second and third force in DFPT?

Last post by onion2440 « Sat Dec 01, 2018 2:28 am
Posted in Link to other codes

by onion2440 » Sat Dec 01, 2018 2:28 am » in Link to other codes

0 Replies

1061 Views

Last post by onion2440
Sat Dec 01, 2018 2:28 am
Segmentation fault with mkl in parallel version

Last post by Hiroki « Thu Nov 29, 2018 8:47 am
Posted in Configuration

by Hiroki » Thu Nov 29, 2018 8:47 am » in Configuration

0 Replies

915 Views

Last post by Hiroki
Thu Nov 29, 2018 8:47 am
symmetry and phonon response function calculation

Last post by woffermans « Wed Nov 28, 2018 11:51 am
Posted in Response calculations

by woffermans » Wed Nov 28, 2018 11:51 am » in Response calculations

0 Replies

720 Views

Last post by woffermans
Wed Nov 28, 2018 11:51 am
MacOs - segmentation fault on base tutorial n°3

Last post by michelet88 « Tue Nov 27, 2018 11:52 am
Posted in Platform specific questions

by michelet88 » Tue Nov 27, 2018 11:52 am » in Platform specific questions

0 Replies

836 Views

Last post by michelet88
Tue Nov 27, 2018 11:52 am
Build fails: automake: error: no 'Makefile.am' found for any

Last post by yurivict « Sat Nov 24, 2018 5:31 am
Posted in Configuration

by yurivict » Sat Nov 24, 2018 5:31 am » in Configuration

0 Replies

879 Views

Last post by yurivict
Sat Nov 24, 2018 5:31 am
how to include the optic package

Last post by ben2 « Tue Nov 13, 2018 7:59 pm
Posted in Configuration

by ben2 » Tue Nov 13, 2018 7:59 pm » in Configuration

0 Replies

823 Views

Last post by ben2
Tue Nov 13, 2018 7:59 pm
average electrostatic potential

Last post by zhr.adinehphd « Mon Nov 12, 2018 8:55 pm
Posted in Input file

by zhr.adinehphd » Mon Nov 12, 2018 8:55 pm » in Input file

0 Replies

677 Views

Last post by zhr.adinehphd
Mon Nov 12, 2018 8:55 pm
Optimization of the MoSSe alloy?

Last post by elia « Mon Nov 12, 2018 3:53 pm
Posted in Input file

by elia » Mon Nov 12, 2018 3:53 pm » in Input file

0 Replies

885 Views

Last post by elia
Mon Nov 12, 2018 3:53 pm
Positron lifetime in a supercell

Last post by robinson2738 « Fri Nov 02, 2018 2:42 pm
Posted in Input file

by robinson2738 » Fri Nov 02, 2018 2:42 pm » in Input file

0 Replies

817 Views

Last post by robinson2738
Fri Nov 02, 2018 2:42 pm
Optimization of the tetragonal phase?

Last post by new_986 « Thu Nov 01, 2018 8:39 am
Posted in Input file

by new_986 » Thu Nov 01, 2018 8:39 am » in Input file

0 Replies

897 Views

Last post by new_986
Thu Nov 01, 2018 8:39 am
Alchemical method

Last post by aria « Wed Oct 31, 2018 3:31 pm
Posted in Input file

by aria » Wed Oct 31, 2018 3:31 pm » in Input file

0 Replies

828 Views

Last post by aria
Wed Oct 31, 2018 3:31 pm
COHESION ENERGY

Last post by noro « Thu Oct 18, 2018 4:40 pm
Posted in Platform specific questions

by noro » Thu Oct 18, 2018 4:40 pm » in Platform specific questions

0 Replies

952 Views

Last post by noro
Thu Oct 18, 2018 4:40 pm
problem in plotting gw corrected band gap for Si in tutorial

Last post by Bhuvan Upadhyay « Thu Oct 18, 2018 8:02 am
Posted in GW

by Bhuvan Upadhyay » Thu Oct 18, 2018 8:02 am » in GW

0 Replies

986 Views

Last post by Bhuvan Upadhyay
Thu Oct 18, 2018 8:02 am
electronic cintrubutions to energy

Last post by ziggery « Wed Oct 17, 2018 9:41 am
Posted in Ground state

by ziggery » Wed Oct 17, 2018 9:41 am » in Ground state

0 Replies

906 Views

Last post by ziggery
Wed Oct 17, 2018 9:41 am
ABINITv8.10.1 Production release

Last post by gonze « Tue Oct 16, 2018 6:35 pm
Posted in News & Announcements

by gonze » Tue Oct 16, 2018 6:35 pm » in News & Announcements

0 Replies

4776 Views

Last post by gonze
Tue Oct 16, 2018 6:35 pm
electronic contributions to energy

Last post by ziggery « Tue Oct 16, 2018 11:01 am
Posted in Post-processing Tools

by ziggery » Tue Oct 16, 2018 11:01 am » in Post-processing Tools

0 Replies

832 Views

Last post by ziggery
Tue Oct 16, 2018 11:01 am
ELF computation

Last post by DenisDavid « Thu Sep 27, 2018 11:12 pm
Posted in GW

by DenisDavid » Thu Sep 27, 2018 11:12 pm » in GW

0 Replies

1168 Views

Last post by DenisDavid
Thu Sep 27, 2018 11:12 pm
Is Information Test Fail Really Means Fail in Next Usage?

Last post by ibnusyuhadap3 « Mon Sep 17, 2018 8:56 am
Posted in Configuration

by ibnusyuhadap3 » Mon Sep 17, 2018 8:56 am » in Configuration

0 Replies

1070 Views

Last post by ibnusyuhadap3
Mon Sep 17, 2018 8:56 am
stress tensor: stress.F90

Last post by johnbrehm « Thu Sep 13, 2018 4:57 pm
Posted in Input file

by johnbrehm » Thu Sep 13, 2018 4:57 pm » in Input file

0 Replies

1043 Views

Last post by johnbrehm
Thu Sep 13, 2018 4:57 pm
k point generation for hexagonal compounds

Last post by elia « Thu Aug 23, 2018 8:20 pm
Posted in Input file

by elia » Thu Aug 23, 2018 8:20 pm » in Input file

0 Replies

1690 Views

Last post by elia
Thu Aug 23, 2018 8:20 pm
Body Centered Tetragonal Carbon

Last post by arjunvarmar « Mon Aug 06, 2018 12:43 pm
Posted in Input file

by arjunvarmar » Mon Aug 06, 2018 12:43 pm » in Input file

0 Replies

1128 Views

Last post by arjunvarmar
Mon Aug 06, 2018 12:43 pm
graphene spin polarization

Last post by Ahmed_BLG « Thu Aug 02, 2018 7:21 pm
Posted in Input file

by Ahmed_BLG » Thu Aug 02, 2018 7:21 pm » in Input file

0 Replies

950 Views

Last post by Ahmed_BLG
Thu Aug 02, 2018 7:21 pm
How to multithread in AWS with MPI?

Last post by ceducation « Sun Jul 22, 2018 6:08 pm
Posted in Configuration

by ceducation » Sun Jul 22, 2018 6:08 pm » in Configuration

0 Replies

1542 Views

Last post by ceducation
Sun Jul 22, 2018 6:08 pm
Selective atom ecut parameter and a global ecut ?

Last post by bradraj « Sat Jul 14, 2018 7:16 am
Posted in Input file

by bradraj » Sat Jul 14, 2018 7:16 am » in Input file

0 Replies

855 Views

Last post by bradraj
Sat Jul 14, 2018 7:16 am

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