Using VASP

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KGAMMA=.False. not working correctly?

Last post by martin.schlipf « Wed Jun 30, 2021 6:47 am
Replies: 5
by MBaeker » Fri Jun 25, 2021 10:58 am

5 Replies

7068 Views

Last post by martin.schlipf
Wed Jun 30, 2021 6:47 am
Noncollinear magnetism & RPA

Last post by rolando_saniz1 « Mon Jun 28, 2021 4:02 pm
Replies: 2
by rolando_saniz1 » Thu Jun 24, 2021 12:02 pm

2 Replies

4692 Views

Last post by rolando_saniz1
Mon Jun 28, 2021 4:02 pm
The question about the chose of POTCAR

Last post by martin.schlipf « Mon Jun 28, 2021 12:44 pm
Replies: 1
by jun_liu » Sun Jun 27, 2021 6:14 am

1 Replies

4016 Views

Last post by martin.schlipf
Mon Jun 28, 2021 12:44 pm
quantum dot

Last post by martin.schlipf « Thu Jun 24, 2021 1:32 pm
Replies: 6
by nikila » Wed Nov 09, 2011 2:05 pm

6 Replies

8437 Views

Last post by martin.schlipf
Thu Jun 24, 2021 1:32 pm
ALGO=scGW or ALGO=QPGW with VASP 6.x.x

Last post by martin.schlipf « Mon Jun 21, 2021 9:34 am
Replies: 1
by ivr900 » Thu Jun 17, 2021 6:26 am

1 Replies

3921 Views

Last post by martin.schlipf
Mon Jun 21, 2021 9:34 am
Coulomb Truncation for GW Calculations

Last post by martin.schlipf « Mon Jun 21, 2021 9:33 am
Replies: 2
by dscullion12 » Wed Apr 11, 2018 6:07 pm

2 Replies

5728 Views

Last post by martin.schlipf
Mon Jun 21, 2021 9:33 am
How to resume an interrupted AIMD

Last post by martin.schlipf « Mon Jun 21, 2021 7:39 am
Replies: 1
by jun_liu » Fri Jun 18, 2021 2:54 pm

1 Replies

5568 Views

Last post by martin.schlipf
Mon Jun 21, 2021 7:39 am
Optical properties using hybrid functional with SOC approach

Last post by martin.schlipf « Thu Jun 17, 2021 1:41 pm
Replies: 1
by sdeepmanav » Thu Jun 17, 2021 10:03 am

1 Replies

3899 Views

Last post by martin.schlipf
Thu Jun 17, 2021 1:41 pm
Adding charge to specific element

Last post by martin.schlipf « Thu Jun 17, 2021 8:13 am
Replies: 3
by nimali_rathnayake » Wed Jun 16, 2021 2:32 am

3 Replies

6417 Views

Last post by martin.schlipf
Thu Jun 17, 2021 8:13 am
Using VASP 6.2 OpenACC GPU port

Last post by mmarsman « Tue Jun 15, 2021 9:40 am
Replies: 10
by david_keller » Fri Jan 29, 2021 8:04 pm

10 Replies

18161 Views

Last post by mmarsman
Tue Jun 15, 2021 9:40 am
reciprocal lattice and k-lattice mismatch

Last post by martin.schlipf « Mon Jun 14, 2021 6:44 am
Replies: 4
by neha_kapila » Tue Apr 27, 2021 11:23 am

4 Replies

8980 Views

Last post by martin.schlipf
Mon Jun 14, 2021 6:44 am
occupation matrix rotation

Last post by andreas.singraber « Thu Jun 10, 2021 11:17 am
Replies: 1
by michaela._fechner » Tue May 25, 2021 12:53 pm

1 Replies

4478 Views

Last post by andreas.singraber
Thu Jun 10, 2021 11:17 am
Strange problem from running VASP

Last post by martin.schlipf « Thu Jun 10, 2021 6:49 am
Replies: 5
by yhan_vasp » Thu Jun 03, 2021 5:38 pm

5 Replies

6287 Views

Last post by martin.schlipf
Thu Jun 10, 2021 6:49 am
NSCF calculation

Last post by henrique_miranda « Wed Jun 09, 2021 11:15 am
Replies: 3
by hzakaryan » Tue May 18, 2021 10:05 am

3 Replies

7204 Views

Last post by henrique_miranda
Wed Jun 09, 2021 11:15 am
Question about the charge density

Last post by martin.schlipf « Tue Jun 08, 2021 7:17 am
Replies: 3
by Shenlan.Yang@monash.edu » Sun Dec 13, 2020 11:38 pm

3 Replies

5583 Views

Last post by martin.schlipf
Tue Jun 08, 2021 7:17 am
Calculating the energy for an atom

Last post by alex « Tue Jun 08, 2021 7:02 am
Replies: 3
by zongtan_fang1 » Fri Jun 04, 2021 10:44 pm

3 Replies

6313 Views

Last post by alex
Tue Jun 08, 2021 7:02 am
About artificially increase the SOC strength in VASP

Last post by andreas.singraber « Mon Jun 07, 2021 7:54 am
Replies: 2
by guojun_zhao1 » Tue Feb 23, 2021 4:45 am

2 Replies

5151 Views

Last post by andreas.singraber
Mon Jun 07, 2021 7:54 am
How to use self-consistent potential correction in vasp.6.2

Last post by andreas.singraber « Mon May 31, 2021 7:53 am
Replies: 5
by kenta_chokawa1 » Thu Apr 29, 2021 4:15 am

5 Replies

9503 Views

Last post by andreas.singraber
Mon May 31, 2021 7:53 am
Problem in the ALGO = CHI step.

Last post by henrique_miranda « Fri May 21, 2021 2:29 pm
Replies: 1
by Bikash_Patra » Thu May 13, 2021 11:42 am

1 Replies

5153 Views

Last post by henrique_miranda
Fri May 21, 2021 2:29 pm
Energy jump an converging to false minimum

Last post by MBaeker « Fri May 21, 2021 6:43 am
Replies: 4
by MBaeker » Fri Apr 30, 2021 1:04 pm

4 Replies

7135 Views

Last post by MBaeker
Fri May 21, 2021 6:43 am

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