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Bug encountered while running vasp with wannier90 interface

Last post by manuel_engel1 « Wed Oct 30, 2024 12:39 pm
Replies: 1
by bhargabkakati » Wed Oct 30, 2024 4:56 am

1 Replies

14533 Views

Last post by manuel_engel1
Wed Oct 30, 2024 12:39 pm
Vasp crashes on one specific GPU

Last post by jonathan_lahnsteiner2 « Wed Oct 23, 2024 3:01 pm
Replies: 1
by ian_steegmayer » Wed Oct 23, 2024 11:25 am

1 Replies

15333 Views

Last post by jonathan_lahnsteiner2
Wed Oct 23, 2024 3:01 pm
ALGO = EIGENVA

Last post by fabien_tran1 « Wed Oct 16, 2024 1:36 pm
Replies: 1
by axel_forslund » Wed Oct 16, 2024 12:10 pm

1 Replies

16696 Views

Last post by fabien_tran1
Wed Oct 16, 2024 1:36 pm
Bug in RPAR calculation when increasing ENCUT

Last post by christopher_sheldon1 « Fri Oct 11, 2024 1:21 pm
Replies: 8
by ngocdung_dinh » Mon Jul 22, 2024 5:49 pm

8 Replies

54807 Views

Last post by christopher_sheldon1
Fri Oct 11, 2024 1:21 pm
Problem in running vasp with USPEX(a crystal structure predictions code)

Last post by support_vasp « Wed Sep 11, 2024 2:22 pm
Replies: 1
by dx0620 » Mon Sep 16, 2013 9:43 am

1 Replies

28061 Views

Last post by support_vasp
Wed Sep 11, 2024 2:22 pm
Registered user, cannot reach download portal

Last post by support_vasp « Tue Sep 10, 2024 2:50 pm
Replies: 1
by 5-903 » Mon Dec 10, 2018 4:42 pm

1 Replies

26455 Views

Last post by support_vasp
Tue Sep 10, 2024 2:50 pm
Grimme D3 (DFT-D3) dispersion correction fails on simple molecule

Last post by support_vasp « Tue Sep 10, 2024 2:49 pm
Replies: 1
by melissa_hines » Thu Dec 26, 2019 9:56 pm

1 Replies

21437 Views

Last post by support_vasp
Tue Sep 10, 2024 2:49 pm
Different moment and energy for QSPIRAL (0,0,0) and (0,0,1)

Last post by support_vasp « Tue Sep 10, 2024 2:49 pm
Replies: 1
by tpaudel1 » Tue Jul 30, 2019 9:43 pm

1 Replies

18265 Views

Last post by support_vasp
Tue Sep 10, 2024 2:49 pm
SHAKE algorithm did not converge!

Last post by support_vasp « Tue Sep 10, 2024 2:48 pm
Replies: 1
by liney » Sat Jul 06, 2019 7:37 pm

1 Replies

17331 Views

Last post by support_vasp
Tue Sep 10, 2024 2:48 pm
Spinor Information

Last post by support_vasp « Tue Sep 10, 2024 2:48 pm
Replies: 1
by KieranSong » Wed May 29, 2019 3:33 am

1 Replies

16821 Views

Last post by support_vasp
Tue Sep 10, 2024 2:48 pm
SCF doesn't stop when EDIFF reached

Last post by support_vasp « Tue Sep 10, 2024 2:48 pm
Replies: 1
by wxiaom86 » Thu May 09, 2019 3:11 am

1 Replies

16702 Views

Last post by support_vasp
Tue Sep 10, 2024 2:48 pm
Can't run ALGO=EXACT or ACFDT with more than one MPI process

Last post by support_vasp « Tue Sep 10, 2024 2:48 pm
Replies: 1
by jcg_forum » Mon Mar 04, 2019 4:24 pm

1 Replies

18697 Views

Last post by support_vasp
Tue Sep 10, 2024 2:48 pm
J-dependent SOC in LDA+U

Last post by support_vasp « Tue Sep 10, 2024 2:48 pm
Replies: 1
by umklapp » Fri Sep 21, 2018 3:18 pm

1 Replies

15578 Views

Last post by support_vasp
Tue Sep 10, 2024 2:48 pm
EDWAV: internal error, the gradient is not orthogonal

Last post by support_vasp « Tue Sep 10, 2024 2:48 pm
Replies: 1
by augolotti » Wed Jul 11, 2018 10:58 pm

1 Replies

17797 Views

Last post by support_vasp
Tue Sep 10, 2024 2:48 pm
BSE ERROR The derivative of the wavefunctions with respect t

Last post by support_vasp « Tue Sep 10, 2024 2:48 pm
Replies: 1
by camille » Wed Jul 04, 2018 3:55 pm

1 Replies

15531 Views

Last post by support_vasp
Tue Sep 10, 2024 2:48 pm
NELM and algo=chi

Last post by support_vasp « Tue Sep 10, 2024 2:48 pm
Replies: 1
by oelerich » Thu Apr 12, 2018 12:19 pm

1 Replies

15422 Views

Last post by support_vasp
Tue Sep 10, 2024 2:48 pm
Convergence of ionic relaxation

Last post by support_vasp « Tue Sep 10, 2024 2:47 pm
Replies: 1
by MBaeker » Tue Oct 18, 2016 8:13 am

1 Replies

14962 Views

Last post by support_vasp
Tue Sep 10, 2024 2:47 pm
band energies precision

Last post by support_vasp « Tue Sep 10, 2024 2:46 pm
Replies: 1
by Rarras » Tue Mar 27, 2018 6:33 pm

1 Replies

14923 Views

Last post by support_vasp
Tue Sep 10, 2024 2:46 pm
Calculation of Dipole Transistion Elements

Last post by support_vasp « Tue Sep 10, 2024 2:46 pm
Replies: 1
by dscullion12 » Mon Sep 26, 2016 5:21 pm

1 Replies

14991 Views

Last post by support_vasp
Tue Sep 10, 2024 2:46 pm
ORBITALMAG facility: is this production-ready?

Last post by support_vasp « Tue Sep 10, 2024 2:46 pm
Replies: 1
by jzwanzig » Thu Sep 15, 2016 5:15 pm

1 Replies

11664 Views

Last post by support_vasp
Tue Sep 10, 2024 2:46 pm

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