[QE-users] Ris: Assign Initial velocity in CPMD

[Paolo Giannozzi]

On Wed, Nov 11, 2020 at 5:01 PM Abhirup Patra <abhirupp at sas.upenn.edu>
wrote:

> Even with the underscore, the error remains the same

Are you sure? This is the relevant piece of code. The error is issued in
routine "errore":

      SELECT CASE ( TRIM(ion_velocities) )
        CASE ('default')
          CONTINUE
        CASE ('change_step')
          dt_old_ = tolp
        CASE ('zero')
          tzerop_= .TRUE.
        CASE ('from_input')
          tv0rd_  = .TRUE.
          IF( .NOT. tavel  ) CALL errore(' iosys ', &
                               ' ION_VELOCITIES not present in stdin ', 1 )
        CASE ('random')
          tcap_ = .TRUE.
        CASE DEFAULT
          CALL errore(' control_flags ',' unknown ion_velocities
'//TRIM(ion_velocities), 1 )
      END SELECT
-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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