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electrical conductivity in different crystalline planes

Last post by mdsimulationgroup « Thu May 23, 2019 2:44 pm
Posted in Response calculations

by mdsimulationgroup » Thu May 23, 2019 2:44 pm » in Response calculations

0 Replies

593 Views

Last post by mdsimulationgroup
Thu May 23, 2019 2:44 pm
electrical conductivity in different crystalline planes

Last post by mdsimulationgroup « Thu May 23, 2019 2:44 pm
Posted in Ground state

by mdsimulationgroup » Thu May 23, 2019 2:44 pm » in Ground state

0 Replies

653 Views

Last post by mdsimulationgroup
Thu May 23, 2019 2:44 pm
Strange spin-component DOS with spin-orbit coupling

Last post by JunqingXu « Sun Apr 14, 2019 2:51 am
Posted in Ground state

by JunqingXu » Sun Apr 14, 2019 2:51 am » in Ground state

0 Replies

828 Views

Last post by JunqingXu
Sun Apr 14, 2019 2:51 am
3 PhD and 1 postdoctoral positions related to ABINIT

Last post by gonze « Wed Apr 10, 2019 4:43 pm
Posted in Jobs and Other Announcements

by gonze » Wed Apr 10, 2019 4:43 pm » in Jobs and Other Announcements

0 Replies

998 Views

Last post by gonze
Wed Apr 10, 2019 4:43 pm
Unitary transformation matrix wavefunctions

Last post by ryne60 « Wed Apr 03, 2019 11:14 am
Posted in Theory

by ryne60 » Wed Apr 03, 2019 11:14 am » in Theory

0 Replies

715 Views

Last post by ryne60
Wed Apr 03, 2019 11:14 am
Error message for double definition of tolXXX [SOLVED]

Last post by mverstra « Mon Apr 01, 2019 2:05 pm
Posted in Input file

by mverstra » Mon Apr 01, 2019 2:05 pm » in Input file

0 Replies

866 Views

Last post by mverstra
Mon Apr 01, 2019 2:05 pm
Two postdoc positions related to ABINIT

Last post by gonze « Wed Mar 27, 2019 8:29 pm
Posted in Jobs and Other Announcements

by gonze » Wed Mar 27, 2019 8:29 pm » in Jobs and Other Announcements

0 Replies

792 Views

Last post by gonze
Wed Mar 27, 2019 8:29 pm
Bug in m_gsphere.F90 affecting gwcomp behavior

Last post by yow5110 « Wed Mar 20, 2019 4:55 pm
Posted in GW

by yow5110 » Wed Mar 20, 2019 4:55 pm » in GW

0 Replies

700 Views

Last post by yow5110
Wed Mar 20, 2019 4:55 pm
ABINIT school on ground state and linear response properties

Last post by admin « Wed Mar 20, 2019 12:26 pm
Posted in News & Announcements

by admin » Wed Mar 20, 2019 12:26 pm » in News & Announcements

0 Replies

4631 Views

Last post by admin
Wed Mar 20, 2019 12:26 pm
SCF at small ecut and restart at larger ecut?

Last post by mdsimulationgroup « Sun Mar 10, 2019 1:21 pm
Posted in Input file

by mdsimulationgroup » Sun Mar 10, 2019 1:21 pm » in Input file

0 Replies

669 Views

Last post by mdsimulationgroup
Sun Mar 10, 2019 1:21 pm
Unresolved bug in fft r2c and c2r transforms with MKL?

Last post by frodo « Wed Mar 06, 2019 9:47 pm
Posted in Proposed code modifications

by frodo » Wed Mar 06, 2019 9:47 pm » in Proposed code modifications

0 Replies

7505 Views

Last post by frodo
Wed Mar 06, 2019 9:47 pm
Abinit not compatible with libxc-4.x.y

Last post by frodo « Tue Mar 05, 2019 6:53 am
Posted in Configuration

by frodo » Tue Mar 05, 2019 6:53 am » in Configuration

0 Replies

753 Views

Last post by frodo
Tue Mar 05, 2019 6:53 am
Automatic k-point generation

Last post by AntonF « Fri Feb 01, 2019 8:18 am
Posted in Ground state

by AntonF » Fri Feb 01, 2019 8:18 am » in Ground state

0 Replies

766 Views

Last post by AntonF
Fri Feb 01, 2019 8:18 am
GW tutorial 1: reading of WFK and SCR files

Last post by chrisewolf « Wed Jan 30, 2019 3:00 am
Posted in GW

by chrisewolf » Wed Jan 30, 2019 3:00 am » in GW

0 Replies

814 Views

Last post by chrisewolf
Wed Jan 30, 2019 3:00 am
Reading Image Wavefunctions Restart String Calculation

Last post by woffermans « Tue Jan 29, 2019 12:36 pm
Posted in Input file

by woffermans » Tue Jan 29, 2019 12:36 pm » in Input file

0 Replies

726 Views

Last post by woffermans
Tue Jan 29, 2019 12:36 pm
exporting wave functions from abinit

Last post by Foerster « Wed Jan 23, 2019 5:58 pm
Posted in GW

by Foerster » Wed Jan 23, 2019 5:58 pm » in GW

0 Replies

730 Views

Last post by Foerster
Wed Jan 23, 2019 5:58 pm
ABINITv8.10.2 Production release

Last post by gonze « Thu Jan 17, 2019 6:55 pm
Posted in News & Announcements

by gonze » Thu Jan 17, 2019 6:55 pm » in News & Announcements

0 Replies

4675 Views

Last post by gonze
Thu Jan 17, 2019 6:55 pm
polarization

Last post by AEK « Wed Jan 09, 2019 11:42 pm
Posted in Platform specific questions

by AEK » Wed Jan 09, 2019 11:42 pm » in Platform specific questions

0 Replies

880 Views

Last post by AEK
Wed Jan 09, 2019 11:42 pm
Segmentation Fault during STRING calculation

Last post by woffermans « Wed Jan 09, 2019 3:43 pm
Posted in Input file

by woffermans » Wed Jan 09, 2019 3:43 pm » in Input file

0 Replies

1005 Views

Last post by woffermans
Wed Jan 09, 2019 3:43 pm
ARPES spectra from electron-phonon calculation

Last post by chrisewolf « Sun Jan 06, 2019 4:05 am
Posted in Response calculations

by chrisewolf » Sun Jan 06, 2019 4:05 am » in Response calculations

0 Replies

716 Views

Last post by chrisewolf
Sun Jan 06, 2019 4:05 am
mismatch DOS and band structure

Last post by zhr.adinehphd « Sat Jan 05, 2019 8:10 pm
Posted in Input file

by zhr.adinehphd » Sat Jan 05, 2019 8:10 pm » in Input file

0 Replies

759 Views

Last post by zhr.adinehphd
Sat Jan 05, 2019 8:10 pm
Relaxations diverge near minimum for systems with 30+ atoms

Last post by aliwho « Fri Jan 04, 2019 7:32 pm
Posted in Input file

by aliwho » Fri Jan 04, 2019 7:32 pm » in Input file

0 Replies

742 Views

Last post by aliwho
Fri Jan 04, 2019 7:32 pm
pw_ecut in JTH PAW dataset

Last post by ryne60 « Fri Dec 21, 2018 9:16 am
Posted in Pseudopotentials and PAW datasets

by ryne60 » Fri Dec 21, 2018 9:16 am » in Pseudopotentials and PAW datasets

0 Replies

1095 Views

Last post by ryne60
Fri Dec 21, 2018 9:16 am
wurzite optimized

Last post by Benamrani « Tue Dec 18, 2018 10:51 pm
Posted in Input file

by Benamrani » Tue Dec 18, 2018 10:51 pm » in Input file

0 Replies

752 Views

Last post by Benamrani
Tue Dec 18, 2018 10:51 pm
Best strategy for charged defect?

Last post by jbarrat « Tue Dec 18, 2018 3:10 pm
Posted in Ground state

by jbarrat » Tue Dec 18, 2018 3:10 pm » in Ground state

0 Replies

809 Views

Last post by jbarrat
Tue Dec 18, 2018 3:10 pm

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