Using VASP

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VASP 6.4.2 METAGGA problem

Last post by svijay « Wed Jan 03, 2024 2:14 pm
Replies: 1
by yuguiyao » Wed Jan 03, 2024 1:44 pm

1 Replies

1775 Views

Last post by svijay
Wed Jan 03, 2024 2:14 pm
large oscillator strength but small imaginary dielectric function

Last post by awang95 « Wed Jan 03, 2024 11:07 am
Replies: 2
by awang95 » Wed Jan 03, 2024 8:31 am

2 Replies

1851 Views

Last post by awang95
Wed Jan 03, 2024 11:07 am
NEB irregular intermediate image spacing

Last post by miguel_san-miguel « Tue Jan 02, 2024 6:31 pm
Replies: 2
by miguel_san-miguel » Tue Jan 02, 2024 2:27 pm

2 Replies

1930 Views

Last post by miguel_san-miguel
Tue Jan 02, 2024 6:31 pm
Energy doesn't change under different external field

Last post by shi_li « Tue Jan 02, 2024 3:27 pm
Replies: 4
by shi_li » Wed Dec 20, 2023 6:27 pm

4 Replies

2795 Views

Last post by shi_li
Tue Jan 02, 2024 3:27 pm
Restarting VASP_ML with modified ML_AB file

Last post by ferenc_karsai « Tue Jan 02, 2024 10:31 am
Replies: 3
by askhetan » Wed Dec 20, 2023 5:54 pm

3 Replies

2269 Views

Last post by ferenc_karsai
Tue Jan 02, 2024 10:31 am
HSE06 calculation doesn't start

Last post by pedro_melo « Wed Dec 27, 2023 10:31 am
Replies: 1
by william_watson » Thu Dec 21, 2023 10:38 pm

1 Replies

1856 Views

Last post by pedro_melo
Wed Dec 27, 2023 10:31 am
TEBEG and translational energy in AIMD simulation

Last post by nidhi_tiwari « Mon Dec 25, 2023 2:26 pm
Replies: 1
by nidhi_tiwari » Sat Dec 23, 2023 6:08 pm

1 Replies

1773 Views

Last post by nidhi_tiwari
Mon Dec 25, 2023 2:26 pm
Generalised Bloch theorem method for phonon calculation

Last post by payal_saha « Fri Dec 22, 2023 10:25 am
Replies: 2
by payal_saha » Thu Dec 21, 2023 12:55 pm

2 Replies

2119 Views

Last post by payal_saha
Fri Dec 22, 2023 10:25 am
BRMIX: old and new charge density differ warning for doping calculations

Last post by sophie_weber « Thu Dec 21, 2023 5:22 pm
Replies: 3
by sophie_weber » Thu Dec 21, 2023 3:56 pm

3 Replies

2235 Views

Last post by sophie_weber
Thu Dec 21, 2023 5:22 pm
Need of supercell in phonon calculation using the DFPT method

Last post by payal_saha « Thu Dec 21, 2023 12:46 pm
Replies: 3
by payal_saha » Tue Dec 19, 2023 1:15 pm

3 Replies

2793 Views

Last post by payal_saha
Thu Dec 21, 2023 12:46 pm
GoWo followed by SCF calculations

Last post by pedro_melo « Thu Dec 21, 2023 11:38 am
Replies: 1
by ahsan_javed » Thu Dec 21, 2023 10:46 am

1 Replies

1472 Views

Last post by pedro_melo
Thu Dec 21, 2023 11:38 am
HSE06 Calculation stops after 4 electronic steps

Last post by mwuensch « Wed Dec 20, 2023 3:30 pm
Replies: 2
by mwuensch » Mon Dec 11, 2023 1:21 pm

2 Replies

2045 Views

Last post by mwuensch
Wed Dec 20, 2023 3:30 pm
How to obtain an output of full wavefunction.

Last post by pedro_melo « Tue Dec 19, 2023 4:53 pm
Replies: 1
by sumanti_patra » Tue Dec 19, 2023 12:37 pm

1 Replies

1103 Views

Last post by pedro_melo
Tue Dec 19, 2023 4:53 pm
Increasing number of symmetry issues with VASP 6

Last post by aaron_kaplan2 « Mon Dec 18, 2023 6:23 pm
Replies: 2
by aaron_kaplan2 » Thu Dec 14, 2023 7:58 pm

2 Replies

2284 Views

Last post by aaron_kaplan2
Mon Dec 18, 2023 6:23 pm
Energy Drift AIMD NVT with Nose-Hoover Thermostat

Last post by graham_pritchard « Mon Dec 18, 2023 3:30 pm
Replies: 2
by graham_pritchard » Sun Dec 17, 2023 4:54 pm

2 Replies

2038 Views

Last post by graham_pritchard
Mon Dec 18, 2023 3:30 pm
Spinors in vasp 6.2.1 with Wannier90 3.1.0 - wrong number wannier projection

Last post by manuel_engel1 « Mon Dec 18, 2023 1:14 pm
Replies: 1
by valln59 » Sun Dec 17, 2023 10:38 pm

1 Replies

1586 Views

Last post by manuel_engel1
Mon Dec 18, 2023 1:14 pm
VDW_C6 Tag Value for Pt in PBE+D2 Correction

Last post by fabien_tran1 « Sat Dec 16, 2023 5:23 pm
Replies: 3
by nidhi_tiwari » Fri Dec 15, 2023 5:35 pm

3 Replies

1956 Views

Last post by fabien_tran1
Sat Dec 16, 2023 5:23 pm
Unexpected Termination of VASP Simulation

Last post by burakgurlek « Sat Dec 16, 2023 11:40 am
Replies: 4
by burakgurlek » Thu Dec 14, 2023 10:33 am

4 Replies

2871 Views

Last post by burakgurlek
Sat Dec 16, 2023 11:40 am
derivation of BSE oscillator strengths and dielectric function

Last post by awang95 « Fri Dec 15, 2023 8:33 pm
Replies: 2
by awang95 » Wed Dec 13, 2023 2:41 am

2 Replies

1399 Views

Last post by awang95
Fri Dec 15, 2023 8:33 pm
BSE oscillator strength from EVGW0 and QPGW0

Last post by michal_otyepka1 « Thu Dec 14, 2023 8:25 am
Replies: 6
by michal_otyepka1 » Mon Dec 11, 2023 4:40 pm

6 Replies

2432 Views

Last post by michal_otyepka1
Thu Dec 14, 2023 8:25 am

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