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Changing parameters in RPA

Last post by kresse_georg « Wed Sep 20, 2023 6:57 am
Replies: 4
by sc_han » Sun Mar 05, 2023 5:04 pm

4 Replies

1958 Views

Last post by kresse_georg
Wed Sep 20, 2023 6:57 am
Continuing a HSE06 band structure calculation in time constrained HPC facility

Last post by hatedark1 « Thu Sep 07, 2023 1:45 pm
Replies: 7
by hatedark1 » Fri Jul 28, 2023 5:30 pm

7 Replies

12909 Views

Last post by hatedark1
Thu Sep 07, 2023 1:45 pm
Inconsistency between Elastic Moduli Tensor Obtained from Theory and from VASP (IBRION=6)

Last post by juergen.furthmueller « Wed Sep 06, 2023 9:12 pm
Replies: 3
by Nishat Tasnim Hiramony » Fri Jul 21, 2023 7:18 am

3 Replies

4753 Views

Last post by juergen.furthmueller
Wed Sep 06, 2023 9:12 pm
Total spin (J-resolved) projected band structure with SOC

Last post by paulfons « Fri Aug 25, 2023 8:25 am

by paulfons » Fri Aug 25, 2023 8:25 am

0 Replies

2546 Views

Last post by paulfons
Fri Aug 25, 2023 8:25 am
appropriate LMAXMIX value for DFT+U calculations

Last post by sophie_weber « Thu Aug 24, 2023 7:22 am
Replies: 2
by sophie_weber » Fri Jul 28, 2023 2:56 pm

2 Replies

3509 Views

Last post by sophie_weber
Thu Aug 24, 2023 7:22 am
SCF is not converging even if dE goes below EDIFF.

Last post by manuel_engel1 « Tue Aug 22, 2023 6:57 pm
Replies: 1
by bikash.patra » Tue Aug 22, 2023 5:03 pm

1 Replies

3425 Views

Last post by manuel_engel1
Tue Aug 22, 2023 6:57 pm
Wrong PDOS with SOC

Last post by pedro_melo « Tue Aug 22, 2023 12:14 pm
Replies: 4
by mukesh_jakhar » Mon Jul 17, 2023 3:52 pm

4 Replies

3670 Views

Last post by pedro_melo
Tue Aug 22, 2023 12:14 pm
InSb bandgap problem with MBJ including SOC

Last post by ralf_tonner1 « Mon Jul 31, 2023 9:31 am
Replies: 4
by ralf_tonner1 » Wed Jul 26, 2023 7:36 pm

4 Replies

3979 Views

Last post by ralf_tonner1
Mon Jul 31, 2023 9:31 am
Is Gibbs free energy same as total energy in VASP?

Last post by alex « Fri Jul 28, 2023 6:37 am
Replies: 1
by Seunghwan_Kwon » Thu Jul 27, 2023 8:47 am

1 Replies

3254 Views

Last post by alex
Fri Jul 28, 2023 6:37 am
Error regarding subspace rotation

Last post by alex « Fri Jul 28, 2023 6:34 am
Replies: 3
by subhomoy_gupta » Fri Jul 21, 2023 8:28 pm

3 Replies

3462 Views

Last post by alex
Fri Jul 28, 2023 6:34 am
Convergence issue in slab calculations with Zero-Kpointss

Last post by pedro_melo « Thu Jul 27, 2023 8:02 am
Replies: 1
by rishikanta_m » Thu Jul 27, 2023 4:55 am

1 Replies

3069 Views

Last post by pedro_melo
Thu Jul 27, 2023 8:02 am
Transforming from imaginary time to imaginary frequency domain

Last post by bprobinson102 « Wed Jul 26, 2023 8:11 pm

by bprobinson102 » Wed Jul 26, 2023 8:11 pm

0 Replies

3174 Views

Last post by bprobinson102
Wed Jul 26, 2023 8:11 pm
Infrared (IR) intensity by VASP 6.3.2

Last post by manoj_wijesingha « Wed Jul 26, 2023 4:46 am
Replies: 2
by manoj_wijesingha » Mon Jul 17, 2023 2:21 pm

2 Replies

3376 Views

Last post by manoj_wijesingha
Wed Jul 26, 2023 4:46 am
How to calculate electronic susceptibility X(q,w)

Last post by pedro_melo « Mon Jul 24, 2023 9:36 am
Replies: 1
by asif_ali28 » Fri Jul 21, 2023 4:45 pm

1 Replies

3300 Views

Last post by pedro_melo
Mon Jul 24, 2023 9:36 am
simulating states under light irradiation

Last post by awang95 « Sun Jul 23, 2023 3:51 am
Replies: 2
by awang95 » Tue Apr 04, 2023 1:00 am

2 Replies

4195 Views

Last post by awang95
Sun Jul 23, 2023 3:51 am
Densiy of states at Fermi level

Last post by pedro_melo « Fri Jul 21, 2023 11:48 am
Replies: 1
by william_watson » Wed Jul 19, 2023 3:55 pm

1 Replies

3095 Views

Last post by pedro_melo
Fri Jul 21, 2023 11:48 am
gamma-only calculation shows HOMO/LUMO at a different location of the 1st BZ?

Last post by pedro_melo « Fri Jul 21, 2023 11:43 am
Replies: 1
by awang95 » Wed Jul 19, 2023 5:46 pm

1 Replies

2783 Views

Last post by pedro_melo
Fri Jul 21, 2023 11:43 am
Is it possible to run AIMD using hybrid functional?

Last post by Seunghwan_Kwon « Tue Jul 18, 2023 9:23 am

by Seunghwan_Kwon » Tue Jul 18, 2023 9:23 am

0 Replies

2922 Views

Last post by Seunghwan_Kwon
Tue Jul 18, 2023 9:23 am
VASP stops LCALCPOL berry phase calculation by incorrectly identifying semiconductor as metal

Last post by anish_kumar « Fri Jul 14, 2023 1:17 am

by anish_kumar » Fri Jul 14, 2023 1:17 am

0 Replies

3190 Views

Last post by anish_kumar
Fri Jul 14, 2023 1:17 am
How to use VASP in large HPC

Last post by dlopezduran « Mon Jul 03, 2023 9:10 am

by dlopezduran » Mon Jul 03, 2023 9:10 am

0 Replies

3289 Views

Last post by dlopezduran
Mon Jul 03, 2023 9:10 am

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