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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

2963 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 Many-body perturbation theory

by yow5110 » Wed Mar 20, 2019 4:55 pm » in Many-body perturbation theory

0 Replies

2650 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

7568 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 Ground state

by mdsimulationgroup » Sun Mar 10, 2019 1:21 pm » in Ground state

0 Replies

1705 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 Improving ABINIT

by frodo » Wed Mar 06, 2019 9:47 pm » in Improving ABINIT

0 Replies

17421 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 Configuring and compiling ABINIT

by frodo » Tue Mar 05, 2019 6:53 am » in Configuring and compiling ABINIT

0 Replies

1788 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

1878 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 Many-body perturbation theory

by chrisewolf » Wed Jan 30, 2019 3:00 am » in Many-body perturbation theory

0 Replies

2777 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 Ground state

by woffermans » Tue Jan 29, 2019 12:36 pm » in Ground state

0 Replies

1851 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 Many-body perturbation theory

by Foerster » Wed Jan 23, 2019 5:58 pm » in Many-body perturbation theory

0 Replies

1822 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

7644 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 Configuring and compiling ABINIT

by AEK » Wed Jan 09, 2019 11:42 pm » in Configuring and compiling ABINIT

0 Replies

1990 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 Ground state

by woffermans » Wed Jan 09, 2019 3:43 pm » in Ground state

0 Replies

2114 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

1770 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 Ground state

by zhr.adinehphd » Sat Jan 05, 2019 8:10 pm » in Ground state

0 Replies

1812 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 Ground state

by aliwho » Fri Jan 04, 2019 7:32 pm » in Ground state

0 Replies

1797 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 Link to other codes

by ryne60 » Fri Dec 21, 2018 9:16 am » in Link to other codes

0 Replies

2285 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 Ground state

by Benamrani » Tue Dec 18, 2018 10:51 pm » in Ground state

0 Replies

1804 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

1890 Views

Last post by jbarrat
Tue Dec 18, 2018 3:10 pm
PhD positions at McMaster (Canada)

Last post by orubel « Wed Dec 12, 2018 1:39 am
Posted in Jobs and Other Announcements

by orubel » Wed Dec 12, 2018 1:39 am » in Jobs and Other Announcements

0 Replies

2724 Views

Last post by orubel
Wed Dec 12, 2018 1:39 am
Again Again issue with pawovlp --- Somebody to take this up

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

by woffermans » Tue Dec 11, 2018 8:34 am » in Ground state

0 Replies

1869 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

2260 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 Configuring and compiling ABINIT

by Hiroki » Thu Nov 29, 2018 8:47 am » in Configuring and compiling ABINIT

0 Replies

2041 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

1732 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 Configuring and compiling ABINIT

by michelet88 » Tue Nov 27, 2018 11:52 am » in Configuring and compiling ABINIT

0 Replies

1997 Views

Last post by michelet88
Tue Nov 27, 2018 11:52 am

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