Enquiry about the WAVECAR and CHGCAR
Posted: 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
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