Enquiry about the WAVECAR and CHGCAR

Problems running VASP: crashes, internal errors, "wrong" results.


Moderators: Global Moderator, Moderator

Locked
Message
Author
kieran
Newbie
Newbie
Posts: 1
Joined: Fri Nov 15, 2013 2:58 am

Enquiry about the WAVECAR and CHGCAR

#1 Post by kieran » Thu Nov 28, 2013 3:14 am

Dear all,

May I make an enquiry?

I set LWAVE and LCHARG as .TRUE. in INCAR file; however, I found that WAVECAR and CHGCAR file were written only after the calculation was finished. What if I encounter the power-shut-down or server-reboot and the calculation is not done at that moment? The WAVECAR and CHGCAR file would be empty and I would not be able to re-start the calculation by using the previous wave function and charge density. Is there any way to sort out this problem?

Any question would be appreciated.

Yours Sincerely,

Kieran
Last edited by kieran on Thu Nov 28, 2013 3:14 am, edited 1 time in total.

support_vasp
Global Moderator
Global Moderator
Posts: 1817
Joined: Mon Nov 18, 2019 11:00 am

Re: Enquiry about the WAVECAR and CHGCAR

#2 Post by support_vasp » Tue Sep 10, 2024 2:37 pm

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP


Locked