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p4vasp

Last post by sachin_k « Tue Apr 16, 2024 12:11 pm
Replies: 2
by jemalyimer_damte » Mon Mar 18, 2024 2:21 pm

2 Replies

35421 Views

Last post by sachin_k
Tue Apr 16, 2024 12:11 pm
BSE (or TDHF LMODELHF) calculation questions

Last post by michael_wolloch « Thu Apr 11, 2024 7:51 am
Replies: 1
by hong_tang1 » Thu Apr 11, 2024 1:07 am

1 Replies

31613 Views

Last post by michael_wolloch
Thu Apr 11, 2024 7:51 am
Adsorption energy calculation without D3 correction

Last post by michael_wolloch « Wed Apr 10, 2024 1:40 pm
Replies: 1
by julien_steffen » Wed Apr 10, 2024 11:27 am

1 Replies

32134 Views

Last post by michael_wolloch
Wed Apr 10, 2024 1:40 pm
Identifying C2N as a Molecular Crystal using VASP Calculations.

Last post by andreas.singraber « Wed Apr 03, 2024 8:37 am
Replies: 1
by hszhao.cn@gmail.com » Sat Mar 16, 2024 2:12 am

1 Replies

30836 Views

Last post by andreas.singraber
Wed Apr 03, 2024 8:37 am
Inquiry Regarding Band Gap Calculations of CsPbBr3

Last post by andreas.singraber « Wed Apr 03, 2024 8:33 am
Replies: 1
by rishikanta_m » Thu Mar 14, 2024 7:21 am

1 Replies

30429 Views

Last post by andreas.singraber
Wed Apr 03, 2024 8:33 am
Wrong PDOS with SOC

Last post by pedro_melo « Thu Mar 28, 2024 10:16 am
Replies: 6
by mukesh_jakhar » Mon Jul 17, 2023 3:52 pm

6 Replies

65310 Views

Last post by pedro_melo
Thu Mar 28, 2024 10:16 am
ionic potential method

Last post by martin.schlipf « Thu Mar 28, 2024 7:37 am
Replies: 1
by mohsen_mahmoudi » Wed Mar 27, 2024 6:33 pm

1 Replies

31414 Views

Last post by martin.schlipf
Thu Mar 28, 2024 7:37 am
G0W0 on top of PBE+SOC+U

Last post by alexey.tal « Thu Mar 07, 2024 10:29 am
Replies: 7
by hong_tang1 » Tue Jan 16, 2024 10:23 pm

7 Replies

54114 Views

Last post by alexey.tal
Thu Mar 07, 2024 10:29 am
Calculation of the Binding Energy and the Adsorption Energy

Last post by alex « Wed Feb 14, 2024 7:45 am
Replies: 1
by manoj_wijesingha » Mon Feb 12, 2024 4:36 pm

1 Replies

29755 Views

Last post by alex
Wed Feb 14, 2024 7:45 am
Advice needed on optimal parallelization strategy

Last post by manuel_engel1 « Wed Feb 07, 2024 3:27 pm
Replies: 1
by mtardieux » Wed Feb 07, 2024 1:53 pm

1 Replies

30010 Views

Last post by manuel_engel1
Wed Feb 07, 2024 3:27 pm
Underestimation of hyperfine constant

Last post by marie-therese.huebsch « Thu Jan 18, 2024 2:14 pm
Replies: 3
by hongyang_ma » Mon Mar 21, 2022 6:29 am

3 Replies

42252 Views

Last post by marie-therese.huebsch
Thu Jan 18, 2024 2:14 pm
Can only get one of two energetically equivalent magnetic domains to converge in a slab

Last post by sophie_weber « Wed Jan 17, 2024 4:04 pm
Replies: 9
by sophie_weber » Thu Dec 14, 2023 5:23 pm

9 Replies

60964 Views

Last post by sophie_weber
Wed Jan 17, 2024 4:04 pm
structural optimization of monolayer

Last post by alexey.tal « Tue Jan 16, 2024 2:54 pm
Replies: 5
by liaqat_ali » Tue Jan 16, 2024 1:31 pm

5 Replies

42406 Views

Last post by alexey.tal
Tue Jan 16, 2024 2:54 pm
Stuck in 'Refit' Mode: VASP ML Force Field Issue with Triclinic Geometries

Last post by ferenc_karsai « Thu Dec 28, 2023 10:04 am
Replies: 5
by dantasqu » Wed Oct 04, 2023 5:52 am

5 Replies

54476 Views

Last post by ferenc_karsai
Thu Dec 28, 2023 10:04 am
Modified Ta PAW potential to calculate accurate EFGs

Last post by CrimsonFirebird « Tue Dec 19, 2023 1:08 am
Replies: 6
by knlausch » Tue May 09, 2023 11:23 am

6 Replies

50153 Views

Last post by CrimsonFirebird
Tue Dec 19, 2023 1:08 am
DFT-1/2 and DFT-1/4

Last post by fabien_tran1 « Fri Dec 15, 2023 9:46 pm
Replies: 1
by rishikanta_m » Tue Dec 12, 2023 4:36 pm

1 Replies

28399 Views

Last post by fabien_tran1
Fri Dec 15, 2023 9:46 pm
Is it worth it to buy a Mac Studio mainly for the VASP calculations?

Last post by jonathan_lahnsteiner2 « Fri Dec 15, 2023 8:50 am
Replies: 1
by duo_wang1 » Wed Dec 06, 2023 11:38 am

1 Replies

30698 Views

Last post by jonathan_lahnsteiner2
Fri Dec 15, 2023 8:50 am
Calculation problem of body-centered cubic uranium

Last post by jonathan_lahnsteiner2 « Fri Dec 15, 2023 8:45 am
Replies: 3
by quanfu_han » Thu Dec 14, 2023 12:51 pm

3 Replies

34541 Views

Last post by jonathan_lahnsteiner2
Fri Dec 15, 2023 8:45 am
Problem in calculations based on thermoelectrics

Last post by jonathan_lahnsteiner2 « Mon Dec 04, 2023 10:53 am
Replies: 1
by ybatraiuac@gmail.com » Mon Dec 04, 2023 9:46 am

1 Replies

28946 Views

Last post by jonathan_lahnsteiner2
Mon Dec 04, 2023 10:53 am
analyzing bands and orbitals after decomposition

Last post by marie-therese.huebsch « Tue Nov 28, 2023 8:24 am
Replies: 6
by marco_infantino » Wed Oct 25, 2023 3:33 pm

6 Replies

55129 Views

Last post by marie-therese.huebsch
Tue Nov 28, 2023 8:24 am

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