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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

34616 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

30200 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

29689 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

28551 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

28335 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

31105 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

27307 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

30139 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

28364 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

28452 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

27712 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

26638 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

27293 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

22350 Views

Last post by support_vasp
Tue Sep 10, 2024 2:46 pm
BSE fatband include SOC error

Last post by support_vasp « Tue Sep 10, 2024 2:46 pm
Replies: 1
by leegeunsik » Thu Mar 08, 2018 3:34 pm

1 Replies

21571 Views

Last post by support_vasp
Tue Sep 10, 2024 2:46 pm
Error reading WAVECAR in non-collinear calculations

Last post by support_vasp « Tue Sep 10, 2024 2:46 pm
Replies: 1
by deepashri » Wed Feb 14, 2018 6:17 am

1 Replies

22635 Views

Last post by support_vasp
Tue Sep 10, 2024 2:46 pm
Im(eps) not zero for energies < band gap

Last post by support_vasp « Tue Sep 10, 2024 2:46 pm
Replies: 1
by rsaniz » Fri Dec 22, 2017 4:57 pm

1 Replies

16582 Views

Last post by support_vasp
Tue Sep 10, 2024 2:46 pm
ERROR FEXCF:supplied exchange-correlation table is too small

Last post by support_vasp « Tue Sep 10, 2024 2:46 pm
Replies: 1
by deepashri » Sat Nov 04, 2017 10:35 am

1 Replies

18341 Views

Last post by support_vasp
Tue Sep 10, 2024 2:46 pm
Optical properties with LOPTICS=True

Last post by support_vasp « Tue Sep 10, 2024 2:45 pm
Replies: 1
by IBRAHIM » Fri Nov 03, 2017 11:42 am

1 Replies

16423 Views

Last post by support_vasp
Tue Sep 10, 2024 2:45 pm
vdW-DF functionals with spin-orbit coupling

Last post by support_vasp « Tue Sep 10, 2024 2:45 pm
Replies: 1
by rrobles » Mon Oct 30, 2017 5:21 pm

1 Replies

15104 Views

Last post by support_vasp
Tue Sep 10, 2024 2:45 pm

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